data_1znf_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 1znf _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 ' 1' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -85.11 124.87 32.28 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.55 -22.67 22.75 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.896 1.678 . . . . 0.0 114.489 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.92 -53.71 4.62 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.5 mt -70.15 -36.62 74.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.392 0.596 . . . . 0.0 109.898 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.13 8.33 2.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 38.59 25.73 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.52 131.17 45.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 174.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -79.37 92.92 5.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.659 1.184 . . . . 0.0 112.806 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -83.43 112.78 20.25 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -47.68 -36.48 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 124.684 1.194 . . . . 0.0 114.01 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.33 143.48 50.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.164 0.986 . . . . 0.0 111.399 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.8 -28.86 69.76 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.103 0.961 . . . . 0.0 111.531 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -52.22 66.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.03 92.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.85 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.22 -50.78 72.36 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 118.645 0.657 . . . . 0.0 109.463 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -55.68 -52.9 62.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -44.97 78.44 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.632 0.773 . . . . 0.0 110.234 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -56.59 -29.79 62.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.974 0.91 . . . . 0.0 111.049 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -56.65 -18.49 12.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 120.739 1.608 . . . . 0.0 113.859 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -29.31 15.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 121.116 1.78 . . . . 0.0 110.647 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.52 -24.98 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 127.675 2.39 . . . . 0.0 112.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -133.16 -48.57 0.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.727 0.811 . . . . 0.0 112.231 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt . . . . . 0 N--CA 1.447 -0.602 0 C-N-CA 129.233 3.013 . . . . 0.0 112.635 -177.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -84.73 120.66 26.66 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 t -65.58 113.18 4.02 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.71 -34.65 3.9 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.927 0.785 . . . . 0.0 114.083 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.1 mt -82.01 -18.65 42.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.7 p -159.41 18.54 0.17 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.096 1.771 . . . . 0.0 114.945 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 33.46 34.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 130.454 3.502 . . . . 0.0 118.269 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -75.25 136.48 40.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 104.592 -2.373 . . . . 0.0 104.592 173.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -81.74 98.73 8.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.213 1.405 . . . . 0.0 112.445 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 90.5 m-85 -85.81 141.02 29.95 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.352 0.661 . . . . 0.0 111.595 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 p -53.72 -40.83 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 C-N-CA 126.859 2.064 . . . . 0.0 112.989 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.08 163.27 40.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.802 0.728 . . . . 0.0 111.492 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -53.03 -32.48 47.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.247 1.419 . . . . 0.0 113.17 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 p -63.37 -58.71 6.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.39 69.6 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.664 0.786 . . . . 0.0 109.839 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.62 -56.26 24.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.27 0.628 . . . . 0.0 109.746 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -55.04 -50.46 69.03 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.047 0.539 . . . . 0.0 109.892 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -58.59 -43.41 89.48 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.951 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.0 t60 -58.29 -28.26 64.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.082 -176.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -51.52 -26.49 8.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.184 0.902 . . . . 0.0 111.961 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -43.28 -34.88 1.29 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.252 1.021 . . . . 0.0 113.531 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -62.91 -33.07 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 119.136 0.88 . . . . 0.0 111.66 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -100.1 -53.74 3.06 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.383 1.073 . . . . 0.0 110.395 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? . . . . . 0 N--CA 1.447 -0.59 0 C-N-CA 129.172 2.989 . . . . 0.0 111.598 -175.312 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -93.3 127.05 38.73 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -62.68 114.34 3.54 Favored 'General case' 0 C--O 1.224 -0.274 0 O-C-N 121.774 -0.579 . . . . 0.0 110.254 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.95 5.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 118.912 0.778 . . . . 0.0 113.656 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.16 -20.82 47.53 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.6 p -156.82 19.08 0.32 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.417 1.917 . . . . 0.0 114.917 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 31.04 41.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 130.013 3.325 . . . . 0.0 117.546 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -82.14 139.46 34.35 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 171.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -84.23 125.0 31.81 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 112.394 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.5 m-85 -121.43 121.84 38.45 Favored 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 125.117 1.367 . . . . 0.0 107.663 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.6 -37.97 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -115.81 148.08 40.28 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.946 0.879 . . . . 0.0 112.615 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.03 -36.37 72.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.033 1.333 . . . . 0.0 110.199 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.28 66.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.689 0.795 . . . . 0.0 108.95 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.59 96.5 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.83 -53.85 53.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 118.466 0.576 . . . . 0.0 109.622 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -57.16 -50.2 73.57 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.463 0.705 . . . . 0.0 109.942 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -62.04 -36.52 81.85 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.274 -0.266 . . . . 0.0 111.113 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 32.0 t60 -61.5 -27.93 68.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.647 -0.658 . . . . 0.0 111.261 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -51.65 -25.94 8.1 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.125 0.875 . . . . 0.0 112.284 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -47.77 -30.18 3.73 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.89 0.876 . . . . 0.0 113.044 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.02 -34.37 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 119.992 1.269 . . . . 0.0 111.149 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -95.29 -55.2 3.14 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 124.085 0.954 . . . . 0.0 109.551 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.6 0 C-N-CA 129.533 3.133 . . . . 0.0 114.27 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -101.52 141.33 34.54 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.858 0.863 . . . . 0.0 110.262 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.5 t -67.39 116.27 7.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.809 0.844 . . . . 0.0 109.603 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.74 -35.48 38.67 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 117.87 0.305 . . . . 0.0 112.372 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -79.29 -12.4 59.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.581 0.752 . . . . 0.0 112.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.324 25.5 p -155.01 -99.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.733 1.151 . . . . 0.0 111.407 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -164.52 -125.25 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.727 1.603 . . . . 0.0 108.888 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 60.76 119.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.954 2.102 . . . . 0.0 112.562 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p -78.56 97.38 5.74 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 120.66 -1.275 . . . . 0.0 109.524 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.433 ' C ' ' H ' ' A' ' 12' ' ' GLU . 82.3 m-85 -82.3 -39.43 22.92 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 122.877 0.471 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 70.6 -32.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 113.729 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 10' ' ' PHE . 3.4 mp0 -99.34 123.22 43.44 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.463 1.505 . . . . 0.0 108.74 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -57.75 -31.78 66.82 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.576 0.351 . . . . 0.0 111.048 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 p -64.59 -53.48 47.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.79 87.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.112 0.565 . . . . 0.0 109.682 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.68 -54.97 39.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.087 0.955 . . . . 0.0 109.574 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -56.29 -46.6 79.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.53 0.732 . . . . 0.0 110.563 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -64.75 -36.54 84.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.063 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.2 t60 -62.74 -29.68 70.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.427 1.012 . . . . 0.0 110.903 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -51.18 -26.54 7.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.734 -1.127 . . . . 0.0 113.878 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -46.33 -31.48 2.6 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.68 1.127 . . . . 0.0 113.635 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -60.18 -33.92 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.198 0.908 . . . . 0.0 111.427 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -101.22 -50.46 3.77 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.704 1.202 . . . . 0.0 110.256 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 129.581 3.152 . . . . 0.0 113.794 -176.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -93.96 133.09 37.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.265 1.026 . . . . 0.0 108.953 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.99 -49.07 73.93 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.87 -49.9 1.39 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.83 -18.55 62.07 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 p -157.8 -162.43 1.17 Allowed 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.79 102.33 2.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.622 0.725 . . . . 0.0 110.668 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -139.18 128.0 23.46 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -79.48 93.96 5.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.905 0.882 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 76.9 m-85 -80.2 135.64 36.31 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.961 0.41 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.44 -36.96 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 125.459 1.503 . . . . 0.0 114.017 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.85 164.14 36.15 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.012 0.824 . . . . 0.0 112.321 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -51.42 -40.51 59.49 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.772 1.229 . . . . 0.0 111.21 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -51.97 67.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.052 0.941 . . . . 0.0 110.101 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.43 93.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.294 0.637 . . . . 0.0 110.176 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.57 -52.46 63.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.381 1.072 . . . . 0.0 109.856 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 t -57.09 -53.02 62.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.326 1.051 . . . . 0.0 108.282 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -43.27 74.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.041 0.536 . . . . 0.0 109.57 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 37.4 t60 -58.79 -29.27 66.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.365 0.529 . . . . 0.0 111.596 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -53.24 -25.0 12.67 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.452 1.023 . . . . 0.0 111.961 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -44.72 -33.86 2.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.025 0.93 . . . . 0.0 112.782 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -65.53 -32.79 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 119.231 0.923 . . . . 0.0 112.327 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -100.93 -53.08 3.14 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.081 0.953 . . . . 0.0 110.759 -176.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? . . . . . 0 N--CA 1.445 -0.683 0 C-N-CA 130.141 3.376 . . . . 0.0 111.742 -176.643 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -147.61 150.39 34.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.6 124.09 43.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.669 1.588 . . . . 0.0 109.371 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.52 55.64 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.267 0.461 . . . . 0.0 113.175 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -75.39 -19.36 59.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.25 0.62 . . . . 0.0 112.294 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.4 p -165.64 105.04 0.71 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.92 58.01 0.07 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -82.53 132.66 35.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 p -81.92 101.89 10.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.306 1.042 . . . . 0.0 111.172 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CE2' HD21 ' A' ' 16' ' ' LEU . 88.7 m-85 -97.0 126.01 41.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.41 1.084 . . . . 0.0 109.576 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.44 -27.6 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.31 151.38 48.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.761 0.791 . . . . 0.0 112.799 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.01 -40.82 86.08 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.399 1.48 . . . . 0.0 111.463 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.28 -54.7 40.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.162 1.385 . . . . 0.0 109.46 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.89 66.47 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.753 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.4 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.5 tm? -59.55 -43.94 93.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 120.952 0.406 . . . . 0.0 111.621 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 m -58.66 -43.63 89.93 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -63.64 -39.44 94.36 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -58.39 -35.58 72.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.521 -0.737 . . . . 0.0 110.709 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -55.07 -14.17 1.47 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -56.21 -26.57 51.55 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.782 1.628 . . . . 0.0 110.939 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.52 -25.39 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 119.968 1.258 . . . . 0.0 111.182 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 82.56 1.13 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.362 1.465 . . . . 0.0 108.149 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 CA--C 1.535 0.371 0 C-N-CA 125.612 1.565 . . . . 0.0 111.089 -177.792 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -100.91 133.36 45.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.474 0.71 . . . . 0.0 109.141 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -73.0 109.97 6.93 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.114 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 -39.0 3.96 Favored Glycine 0 CA--C 1.534 1.277 0 CA-C-N 118.762 0.71 . . . . 0.0 113.924 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.83 -20.84 57.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 p -154.92 15.12 0.42 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.265 1.848 . . . . 0.0 114.988 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 43.72 17.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 129.557 3.143 . . . . 0.0 117.635 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -63.85 138.64 58.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 173.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.5 m -93.15 116.87 29.44 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.275 1.03 . . . . 0.0 110.053 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.56 126.05 51.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.538 1.535 . . . . 0.0 109.044 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.75 -33.1 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.555 1.542 . . . . 0.0 114.051 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.75 155.22 44.11 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.528 0.68 . . . . 0.0 111.116 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.49 -33.66 66.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.312 1.045 . . . . 0.0 110.806 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -53.48 57.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.397 0.679 . . . . 0.0 109.541 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.6 99.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.21 -53.83 51.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 109.801 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 m -58.03 -52.68 64.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.58 -37.38 70.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -67.03 -25.68 66.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.309 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -51.32 -27.43 9.56 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.507 1.049 . . . . 0.0 113.67 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -41.75 -35.87 0.88 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.264 1.026 . . . . 0.0 113.619 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -62.61 -31.47 52.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 118.99 0.813 . . . . 0.0 112.197 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -103.76 -53.71 2.71 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.804 1.241 . . . . 0.0 109.864 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 tttp . . . . . 0 N--CA 1.443 -0.779 0 C-N-CA 128.92 2.888 . . . . 0.0 111.193 -177.749 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -132.62 145.61 51.23 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -26.76 52.22 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 112.471 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.68 -51.79 3.79 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.31 -0.869 . . . . 0.0 111.765 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.38 -24.43 64.78 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 117.798 0.799 . . . . 0.0 109.737 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.9 p -150.55 108.85 3.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.0 59.27 0.16 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -173.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -93.68 141.78 28.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -90.27 118.4 29.75 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 124.061 0.944 . . . . 0.0 110.615 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -108.46 120.75 43.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.186 1.394 . . . . 0.0 109.521 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.69 -33.31 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.779 -0.191 . . . . 0.0 111.504 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -125.75 138.52 53.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.145 0.978 . . . . 0.0 111.354 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.16 -27.23 68.81 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.835 0.854 . . . . 0.0 112.389 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -59.96 -58.21 9.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.716 1.206 . . . . 0.0 108.637 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -47.86 68.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.475 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.56 -48.68 80.71 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 122.208 -0.308 . . . . 0.0 111.402 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -56.35 -46.66 79.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.9 tpt85 -60.14 -37.83 81.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.526 0.33 . . . . 0.0 110.113 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -65.58 -36.3 83.36 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.917 0.887 . . . . 0.0 108.908 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.48 -15.2 6.31 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 121.137 1.789 . . . . 0.0 114.133 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -57.04 -26.18 59.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 121.398 1.908 . . . . 0.0 110.018 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.23 -33.94 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 126.737 2.015 . . . . 0.0 110.475 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.03 74.54 0.72 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.787 1.235 . . . . 0.0 108.89 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 C-N-CA 124.096 0.958 . . . . 0.0 110.42 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -112.54 134.17 54.21 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -24.23 65.85 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.18 -49.92 4.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 120.936 -1.103 . . . . 0.0 111.432 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.84 -21.14 61.0 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.157 -0.613 . . . . 0.0 110.057 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 p -160.34 120.86 2.93 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.36 65.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.414 1.085 . . . . 0.0 113.344 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -104.23 146.23 29.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 m -92.97 126.03 37.85 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 123.249 0.619 . . . . 0.0 111.02 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -118.4 118.57 32.12 Favored 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 124.564 1.146 . . . . 0.0 108.788 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.1 m -57.34 -36.26 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -132.97 157.1 46.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.066 0.936 . . . . 0.0 112.37 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.24 -22.84 66.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.373 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -63.95 -62.34 1.7 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -45.02 30.05 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.391 0.676 . . . . 0.0 109.959 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -56.59 19.88 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.329 0.652 . . . . 0.0 111.023 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -51.83 -46.78 64.47 Favored 'General case' 0 C--N 1.34 0.152 0 O-C-N 122.095 -0.378 . . . . 0.0 110.6 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -65.99 -40.21 91.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -60.1 -37.02 78.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.566 -0.709 . . . . 0.0 111.485 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -47.37 -30.94 3.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -49.22 -24.7 1.86 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.21 -35.13 74.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 120.384 1.447 . . . . 0.0 111.092 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -99.76 -47.14 5.17 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.55 1.14 . . . . 0.0 110.691 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt . . . . . 0 N--CA 1.447 -0.597 0 C-N-CA 130.208 3.403 . . . . 0.0 112.0 -176.572 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -96.49 124.34 40.45 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -21.82 65.2 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 -50.9 4.26 Favored Glycine 0 CA--C 1.527 0.808 0 O-C-N 121.052 -1.03 . . . . 0.0 111.402 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -67.97 -25.37 65.4 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.6 p -157.17 118.63 3.71 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 102.277 -3.231 . . . . 0.0 102.277 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.06 49.96 0.2 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 ttt-85 -89.05 144.65 25.99 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -86.42 129.53 34.82 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.683 1.193 . . . . 0.0 112.015 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CD1' ' CD2' ' A' ' 16' ' ' LEU . 82.8 m-85 -123.48 135.7 54.2 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 124.665 1.186 . . . . 0.0 109.234 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -79.21 -32.21 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.79 154.62 50.09 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.608 0.718 . . . . 0.0 112.612 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -57.91 -43.56 86.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.895 0.878 . . . . 0.0 110.723 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -54.65 -41.44 70.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.89 0.876 . . . . 0.0 111.02 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.05 88.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' CD2' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.57 -51.24 70.27 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 123.138 0.575 . . . . 0.0 109.612 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 m -50.41 -52.94 33.2 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.207 1.003 . . . . 0.0 109.391 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -62.36 -44.96 95.25 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -55.85 -36.25 67.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.947 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -52.16 -25.39 8.87 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 121.178 1.808 . . . . 0.0 113.655 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -49.93 -30.47 10.33 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.535 1.061 . . . . 0.0 111.083 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.95 -36.64 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.917 2.087 . . . . 0.0 111.933 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -109.59 -52.74 2.74 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 124.275 1.03 . . . . 0.0 109.955 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt . . . . . 0 N--CA 1.442 -0.862 0 C-N-CA 128.633 2.773 . . . . 0.0 111.292 -178.612 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -110.71 145.41 38.07 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.429 0.691 . . . . 0.0 111.058 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.9 t -78.35 -25.34 46.31 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 126.052 1.741 . . . . 0.0 113.644 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.28 -52.13 4.02 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 121.229 -0.919 . . . . 0.0 111.007 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.48 -38.01 83.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 p -146.89 86.71 1.66 Allowed 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.46 59.07 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.838 2.855 . . . . 0.0 118.01 -174.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -84.25 127.39 33.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -84.47 96.13 9.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.925 0.49 . . . . 0.0 110.936 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.87 137.1 33.35 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.03 -41.82 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 C-N-CA 124.152 0.981 . . . . 0.0 110.539 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -120.96 146.86 46.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.203 1.001 . . . . 0.0 111.573 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -60.56 -35.54 76.31 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -51.88 58.68 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.756 0.822 . . . . 0.0 110.527 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.84 63.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.59 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.39 -46.55 73.12 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 111.801 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -60.54 -53.61 55.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -56.27 -39.67 73.0 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -60.72 -30.76 70.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.064 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -50.53 -32.94 19.81 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 119.938 1.245 . . . . 0.0 112.979 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -36.02 -37.79 0.12 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 114.331 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 m -56.61 -40.47 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.717 0.689 . . . . 0.0 111.668 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -102.17 -50.54 3.61 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.447 1.099 . . . . 0.0 109.22 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.44 -0.931 0 C-N-CA 125.294 1.438 . . . . 0.0 108.778 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.46 148.0 26.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.752 1.221 . . . . 0.0 108.989 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.96 -62.97 1.43 Allowed 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.77 -52.52 0.72 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 109.326 -1.509 . . . . 0.0 109.326 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -15.67 60.82 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -159.83 -164.07 1.26 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 101.808 -3.404 . . . . 0.0 101.808 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.31 106.05 1.73 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.495 -0.753 . . . . 0.0 112.267 -176.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.07 132.98 32.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -74.91 86.57 2.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.188 0.595 . . . . 0.0 110.864 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.36 143.38 44.89 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 m -71.12 -31.96 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.25 153.83 46.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.318 0.58 . . . . 0.0 112.293 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -55.25 -37.1 66.78 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.928 0.891 . . . . 0.0 110.707 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -51.0 63.86 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.258 1.023 . . . . 0.0 110.243 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.63 91.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.249 1.02 . . . . 0.0 110.088 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -46.4 83.3 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.296 1.039 . . . . 0.0 110.052 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -59.76 -54.31 47.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.51 -46.57 70.15 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -55.86 -28.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.081 -0.961 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -59.32 -25.03 63.81 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 121.536 1.971 . . . . 0.0 112.331 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -26.36 5.42 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.148 1.34 . . . . 0.0 111.435 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.87 -37.17 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 C-N-CA 126.987 2.115 . . . . 0.0 111.388 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -124.37 -7.95 7.54 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.863 1.265 . . . . 0.0 114.264 -176.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp . . . . . 0 N--CA 1.445 -0.711 0 C-N-CA 124.741 1.216 . . . . 0.0 111.589 -173.092 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -114.06 148.79 36.49 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.104 0.962 . . . . 0.0 112.847 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.39 111.77 24.07 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 174.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.59 -35.63 11.33 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.281 0.467 . . . . 0.0 114.015 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.6 mt -77.68 -21.23 52.37 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.454 0.702 . . . . 0.0 112.871 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -165.02 93.25 0.61 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.84 61.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -172.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.3 134.14 42.58 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -79.51 87.5 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.643 1.177 . . . . 0.0 111.29 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -84.92 120.58 26.65 Favored 'General case' 0 C--O 1.228 -0.042 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.97 -34.07 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.313 0.645 . . . . 0.0 112.263 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 142.64 51.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.372 1.069 . . . . 0.0 110.426 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -60.24 -31.15 69.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.464 0.705 . . . . 0.0 112.304 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 m -53.76 -48.43 69.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.645 0.778 . . . . 0.0 111.302 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.77 70.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.99 -43.61 70.14 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.014 0.925 . . . . 0.0 110.748 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 m -61.75 -55.57 28.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -57.14 -34.23 68.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.314 0.246 . . . . 0.0 110.781 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -61.62 -25.04 67.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 109.233 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -65.77 -1.51 2.9 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 121.739 2.063 . . . . 0.0 113.115 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.4 -29.66 69.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.259 21.8 t -79.59 138.13 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.362 0 N-CA-C 103.527 -2.768 . . . . 0.0 103.527 172.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 72.41 -49.1 0.69 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 N--CA 1.453 -0.276 0 C-N-CA 127.156 2.182 . . . . 0.0 112.453 -175.727 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 121.714 0.769 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.85 79.6 1.61 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.143 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.98 -29.55 65.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.796 0.438 . . . . 0.0 110.26 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 -51.11 4.52 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.04 -16.4 62.04 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 p -171.47 -175.28 1.58 Allowed 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 103.241 -2.874 . . . . 0.0 103.241 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -150.65 105.5 3.3 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 127.342 2.257 . . . . 0.0 107.588 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -134.95 154.38 51.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.241 1.417 . . . . 0.0 107.567 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -77.68 78.28 4.18 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -87.82 -37.78 16.26 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.101 0.96 . . . . 0.0 110.128 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.259 9.2 m 57.3 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 130.335 3.454 . . . . 0.0 117.051 178.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -132.25 131.56 42.2 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.502 1.121 . . . . 0.0 111.296 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -45.87 -35.8 4.81 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.244 1.818 . . . . 0.0 113.022 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -62.2 2.03 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.285 1.434 . . . . 0.0 109.431 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.87 87.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.711 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -58.37 -47.07 85.0 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.908 0.883 . . . . 0.0 110.336 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -58.69 -56.65 19.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -55.46 -38.92 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.387 -0.196 . . . . 0.0 110.624 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -59.92 -30.55 69.12 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.441 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.38 -27.62 10.43 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 119.836 1.198 . . . . 0.0 113.067 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -45.85 -31.39 2.09 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.016 0.826 . . . . 0.0 113.21 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.58 -30.79 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 119.869 1.213 . . . . 0.0 112.047 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -105.92 -54.9 2.41 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.374 1.07 . . . . 0.0 110.52 -177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? . . . . . 0 N--CA 1.447 -0.581 0 C-N-CA 128.733 2.813 . . . . 0.0 110.366 -177.522 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -118.7 125.37 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.34 66.12 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.553 0.741 . . . . 0.0 112.72 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.14 3.88 Favored Glycine 0 CA--C 1.527 0.827 0 O-C-N 121.301 -0.874 . . . . 0.0 111.516 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.28 -23.62 64.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.549 0.675 . . . . 0.0 109.353 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 p -155.81 114.61 3.49 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -71.77 61.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.402 1.481 . . . . 0.0 113.812 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -99.06 141.53 31.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 p -82.79 108.47 16.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.128 1.371 . . . . 0.0 111.794 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 69.4 m-85 -102.87 102.65 12.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.691 0.796 . . . . 0.0 109.793 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 p -44.62 -38.25 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 125.946 1.698 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -135.61 162.17 33.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.314 1.054 . . . . 0.0 112.33 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.04 -32.38 67.93 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.016 -1.447 . . . . 0.0 108.571 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 p -64.27 -54.76 28.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.26 69.0 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.031 0.932 . . . . 0.0 110.557 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -53.8 44.52 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.638 0.775 . . . . 0.0 109.448 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -53.69 -49.01 68.96 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.795 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -57.44 -45.09 85.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 76.2 t60 -59.53 -31.28 69.25 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.355 178.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.17 1.71 0.68 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 122.045 2.202 . . . . 0.0 114.324 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.63 -27.08 68.4 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 168.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 21.9 t -82.85 143.1 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 127.969 2.508 . . . . 0.0 104.921 174.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 72.24 -61.7 0.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.707 1.203 . . . . 0.0 112.537 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt . . . . . 0 N--CA 1.451 -0.38 0 C-N-CA 127.099 2.16 . . . . 0.0 111.651 -177.573 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 122.043 0.925 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -74.69 77.15 2.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.487 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -24.77 66.7 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 176.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.36 -54.53 4.19 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.066 0.841 . . . . 0.0 111.038 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.84 -14.46 60.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.94 0.37 . . . . 0.0 111.518 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -172.0 159.49 5.05 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -132.24 92.4 3.09 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.993 2.117 . . . . 0.0 108.185 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 61.8 mtp180 -115.19 155.29 27.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -72.8 73.96 1.12 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 54.2 m-85 -85.0 -38.63 19.0 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.935 0.894 . . . . 0.0 110.551 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.339 2.5 p 53.34 -0.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 130.634 3.573 . . . . 0.0 118.472 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -138.09 138.64 38.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 125.348 1.459 . . . . 0.0 110.381 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.65 -35.52 66.05 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.408 1.083 . . . . 0.0 111.353 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -59.49 -61.43 2.63 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.455 1.102 . . . . 0.0 109.046 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -45.18 71.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.91 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -54.17 49.95 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 122.878 0.471 . . . . 0.0 109.814 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -54.21 -46.73 72.54 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -59.81 -44.0 94.22 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 16.7 t60 -60.25 -36.16 77.14 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.431 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -55.84 -9.76 0.63 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.95 1.25 . . . . 0.0 113.435 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -55.19 -33.26 62.86 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.982 1.264 . . . . 0.0 109.266 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.26 -32.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 118.911 0.778 . . . . 0.0 110.596 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.44 101.32 2.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.261 1.024 . . . . 0.0 110.713 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 C-N-CA 124.304 1.041 . . . . 0.0 110.985 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 122.003 0.906 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.44 76.66 1.04 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.565 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -24.13 61.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.969 0.508 . . . . 0.0 110.387 176.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.31 -52.01 4.65 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.74 -20.69 58.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.72 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 p -163.67 -19.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 38.73 55.4 1.96 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -77.56 154.77 32.05 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -72.61 79.01 1.08 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.24 1.416 . . . . 0.0 113.738 -176.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' C ' ' H ' ' A' ' 12' ' ' GLU . 71.6 m-85 -93.36 -41.94 9.57 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.124 0.57 . . . . 0.0 110.515 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.274 18.2 m 61.87 -23.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 1 C-N-CA 132.22 4.208 . . . . 0.0 114.441 -179.247 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 10' ' ' PHE . 2.7 tm-20 -93.09 112.41 24.36 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 127.611 2.364 . . . . 0.0 108.64 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -45.47 -55.36 6.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.718 1.207 . . . . 0.0 112.881 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.08 -51.93 48.47 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.105 0.411 . . . . 0.0 110.984 -177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -40.56 85.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.509 0.724 . . . . 0.0 110.41 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.32 -49.81 75.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 118.761 0.71 . . . . 0.0 109.819 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -47.85 84.35 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -54.78 -44.83 74.05 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.198 0.599 . . . . 0.0 109.62 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -58.13 -28.28 64.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.454 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -52.12 -28.23 17.05 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 120.418 1.463 . . . . 0.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -32.59 1.54 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.021 0.929 . . . . 0.0 113.228 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -63.17 -34.33 66.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 120.013 1.279 . . . . 0.0 111.889 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -101.57 -51.92 3.34 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 123.919 0.888 . . . . 0.0 110.606 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm . . . . . 0 N--CA 1.445 -0.697 0 C-N-CA 131.581 3.952 . . . . 0.0 107.654 -176.356 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -82.78 121.3 26.72 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.09 108.73 3.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.58 -34.64 5.17 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-N 118.833 0.742 . . . . 0.0 113.508 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.2 mt -79.98 -19.85 46.88 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.0 p -159.45 21.38 0.18 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.159 1.8 . . . . 0.0 114.432 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.26 30.8 mt-10 35.34 23.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 131.139 3.776 . . . . 0.0 119.036 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -68.08 141.01 56.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -94.21 120.2 34.12 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.806 1.242 . . . . 0.0 109.05 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -109.91 138.89 45.65 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 124.692 1.197 . . . . 0.0 112.496 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 m -47.03 -45.23 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.459 1.504 . . . . 0.0 113.089 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.74 162.23 41.11 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.976 0.417 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -32.97 45.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.842 0.857 . . . . 0.0 111.835 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -47.77 84.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.533 0.733 . . . . 0.0 109.759 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.0 92.88 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -55.63 32.63 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.3 m -50.74 -49.72 57.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.239 1.015 . . . . 0.0 109.635 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -57.93 -47.59 82.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -58.22 -44.61 88.29 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.583 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -50.46 -23.14 2.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -49.3 -29.49 6.06 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.204 1.366 . . . . 0.0 110.376 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 p -57.43 -38.26 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 128.249 2.619 . . . . 0.0 113.958 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -109.6 -44.74 3.8 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.792 1.237 . . . . 0.0 110.134 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.83 0 C-N-CA 129.917 3.287 . . . . 0.0 112.917 -177.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -132.62 136.85 46.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.1 110.21 11.57 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.02 -36.3 2.62 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 123.699 0.666 . . . . 0.0 114.203 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -79.84 -19.95 47.17 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 p -151.52 10.56 0.57 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.845 1.657 . . . . 0.0 115.0 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 45.98 19.05 0.06 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 128.309 2.643 . . . . 0.0 116.602 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -66.65 143.38 57.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -89.34 142.65 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.339 0.656 . . . . 0.0 111.083 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -134.31 137.51 44.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.502 . . . . 0.0 109.878 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -48.78 63.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.314 1.046 . . . . 0.0 112.355 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.57 171.58 16.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.845 0.831 . . . . 0.0 112.954 -178.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -47.77 -41.42 23.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.318 1.847 . . . . 0.0 113.546 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -47.98 82.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.771 0.714 . . . . 0.0 110.103 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.85 99.64 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -50.44 73.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.9 m -55.9 -52.62 63.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -54.45 -41.56 69.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.352 0.661 . . . . 0.0 110.334 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -58.76 -27.5 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.675 -0.679 . . . . 0.0 111.561 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -63.08 0.69 0.55 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.942 1.246 . . . . 0.0 113.01 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -32.93 64.3 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.45 146.01 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 73.2 -58.64 0.59 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.531 1.932 . . . . 0.0 110.662 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 tttm . . . . . 0 N--CA 1.447 -0.578 0 C-N-CA 126.013 1.725 . . . . 0.0 110.858 -178.238 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -79.89 128.86 33.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 t -56.71 -28.6 61.25 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.77 -54.3 4.4 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.96 -28.34 65.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.088 0.555 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 p -152.44 30.54 0.53 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.367 0.531 . . . . 0.0 110.555 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.256 23.1 mt-10 21.76 19.57 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 2 C-N-CA 132.415 4.286 . . . . 0.0 121.848 -179.92 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -59.2 134.12 56.71 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -98.29 111.26 23.66 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.586 1.155 . . . . 0.0 109.86 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -102.39 139.11 38.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.562 1.145 . . . . 0.0 109.688 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.29 -42.13 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -115.54 147.83 40.23 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.616 0.766 . . . . 0.0 112.181 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.63 -31.48 70.67 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.881 0.872 . . . . 0.0 110.662 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -49.34 77.94 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.52 92.31 Favored 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.32 -52.12 62.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -56.76 -47.65 79.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.646 0.379 . . . . 0.0 110.683 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.37 -25.09 65.6 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.583 0.353 . . . . 0.0 110.593 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.409 ' CE1' HG13 ' A' ' 22' ' ' VAL . 53.4 t60 -81.34 -52.19 7.56 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.875 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -45.74 -33.22 2.89 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -44.55 -29.99 0.82 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.108 0.867 . . . . 0.0 111.175 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.409 HG13 ' CE1' ' A' ' 19' ' ' HIS . 9.2 p -53.19 -42.7 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 127.548 2.339 . . . . 0.0 113.319 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -110.52 -29.94 7.85 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.584 1.154 . . . . 0.0 111.895 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 N--CA 1.446 -0.648 0 C-N-CA 126.953 2.101 . . . . 0.0 112.293 -171.995 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -102.83 137.46 41.01 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.6 t -68.07 108.41 3.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.98 -33.72 3.77 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-N 118.888 0.767 . . . . 0.0 113.727 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.24 -21.84 45.64 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.67 18.79 0.46 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.994 1.725 . . . . 0.0 114.475 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 36.76 34.21 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.455 3.502 . . . . 0.0 118.483 178.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -81.46 140.31 34.69 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.049 -2.574 . . . . 0.0 104.049 173.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -84.71 136.4 33.74 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 124.047 0.939 . . . . 0.0 110.872 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.2 m-85 -121.71 -34.48 3.39 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER 72.58 -36.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 128.128 2.571 . . . . 0.0 112.704 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 10' ' ' PHE . 85.8 tt0 -102.53 122.56 44.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 126.966 2.106 . . . . 0.0 109.625 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -56.57 -39.21 73.09 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.695 0.398 . . . . 0.0 110.926 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.491 1.116 . . . . 0.0 110.535 178.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.54 -42.09 62.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.95 -48.42 75.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.772 0.829 . . . . 0.0 108.801 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 m -56.69 -55.78 29.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.368 1.067 . . . . 0.0 108.971 178.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -52.52 -44.74 65.94 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 78.7 t60 -60.6 -29.13 69.01 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.667 -178.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -59.71 -19.86 52.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 121.113 1.778 . . . . 0.0 112.443 177.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -52.5 -27.84 18.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.607 1.549 . . . . 0.0 110.708 177.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.6 -28.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 C-N-CA 126.929 2.091 . . . . 0.0 112.088 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -123.25 -55.3 1.77 Allowed 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.406 1.083 . . . . 0.0 111.434 -176.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 130.766 3.626 . . . . 0.0 114.597 -178.118 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -135.83 145.59 46.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 t -86.66 106.95 17.96 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 118.815 0.734 . . . . 0.0 110.514 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.57 7.47 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 118.096 0.407 . . . . 0.0 113.669 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.77 -20.3 50.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.109 -0.948 . . . . 0.0 113.448 -178.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.4 p -152.99 20.86 0.58 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.442 1.474 . . . . 0.0 114.445 -178.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.292 10.7 pt-20 44.61 2.27 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 130.363 3.465 . . . . 0.0 119.6 177.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -56.4 144.5 30.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 174.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 m -96.46 134.79 39.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.932 1.293 . . . . 0.0 108.751 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -126.31 -24.94 3.58 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.921 0.889 . . . . 0.0 113.146 -176.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.348 1.6 p 46.76 25.75 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 117.022 2.231 . . . . 0.0 117.022 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -157.94 136.48 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 126.311 1.845 . . . . 0.0 108.121 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -66.85 -21.82 66.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -66.76 -64.06 0.93 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.77 -42.7 62.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.613 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -54.08 49.07 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 118.588 0.631 . . . . 0.0 110.614 177.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -53.92 -46.2 71.41 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.794 -0.566 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -57.8 -48.8 78.68 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -58.39 -36.23 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.06 -11.66 3.84 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 121.378 1.899 . . . . 0.0 114.145 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -54.63 -29.48 52.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 120.87 1.668 . . . . 0.0 108.755 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.75 -36.43 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 127.144 2.178 . . . . 0.0 111.083 178.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.69 66.79 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -176.338 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.2 pttt . . . . . 0 CA--C 1.533 0.323 0 C-N-CA 124.074 0.95 . . . . 0.0 109.96 177.575 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -132.26 138.18 47.79 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.04 113.65 22.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.21 -10.43 2.68 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.3 mt -113.01 9.13 18.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.297 1.439 . . . . 0.0 112.208 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -148.98 -36.11 0.18 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.497 1.044 . . . . 0.0 112.522 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 72.44 16.07 5.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 127.965 2.506 . . . . 0.0 112.431 -177.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.1 143.04 52.53 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 174.13 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -89.88 131.65 35.69 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.389 0.676 . . . . 0.0 109.178 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -126.43 123.89 38.9 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.301 1.44 . . . . 0.0 109.245 -178.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.5 -39.3 85.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -115.8 148.68 39.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -63.87 -33.65 76.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 175.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -46.16 88.59 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.926 0.89 . . . . 0.0 109.247 176.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -51.82 67.9 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.296 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -52.9 -48.75 66.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.421 0.689 . . . . 0.0 109.524 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.4 tpt85 -61.84 -39.05 90.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.931 0.493 . . . . 0.0 110.292 177.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -63.14 -29.31 70.69 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.509 -179.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -61.7 7.24 0.05 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 177.217 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -37.7 81.36 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 170.203 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.91 150.37 4.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 174.777 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 72.24 -59.41 0.56 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.771 . . . . 0.0 110.261 -176.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 N--CA 1.447 -0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 110.673 -179.097 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -134.13 148.3 50.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -27.4 44.16 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.428 0.691 . . . . 0.0 112.769 -177.264 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.64 -50.75 3.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 121.099 -1.001 . . . . 0.0 112.114 178.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.65 -24.25 65.43 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.721 0.761 . . . . 0.0 109.337 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.1 p -154.86 110.77 3.17 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 101.04 -3.689 . . . . 0.0 101.04 176.359 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.82 55.69 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -172.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -82.59 144.52 30.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 173.273 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.2 m -101.55 135.72 42.6 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.507 0.723 . . . . 0.0 109.809 -179.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CE2' HD21 ' A' ' 16' ' ' LEU . 73.6 m-85 -129.37 139.06 51.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.597 1.559 . . . . 0.0 108.261 -178.343 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -43.44 51.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.851 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.91 154.4 37.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.837 0.855 . . . . 0.0 111.63 178.365 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -58.36 -31.8 67.95 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.121 1.368 . . . . 0.0 113.685 -179.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -58.31 -57.78 11.37 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.794 0.725 . . . . 0.0 111.743 -176.419 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.31 -46.07 80.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.678 0.791 . . . . 0.0 109.926 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.404 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.6 tm? -61.3 -50.22 73.85 Favored 'General case' 0 N--CA 1.437 -1.076 0 O-C-N 122.271 -0.268 . . . . 0.0 111.679 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -60.34 -43.6 96.28 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 108.868 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -57.52 -41.13 80.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -62.39 -48.72 78.5 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -56.02 -12.2 1.36 Allowed 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -54.26 -28.16 39.81 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.623 1.556 . . . . 0.0 108.125 172.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.83 -31.91 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 127.825 2.45 . . . . 0.0 113.284 176.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.48 75.41 0.11 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 125.061 1.344 . . . . 0.0 110.981 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.431 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -112.36 134.29 53.97 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.932 1.293 . . . . 0.0 108.543 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.1 p -78.45 -8.13 58.18 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.08 -48.43 1.72 Allowed Glycine 0 CA--C 1.533 1.165 0 CA-C-N 119.164 0.893 . . . . 0.0 113.775 178.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.88 -35.92 81.97 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.058 0.943 . . . . 0.0 110.722 -177.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -145.26 20.65 1.56 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.234 1.014 . . . . 0.0 110.327 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 16.26 46.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 130.643 3.577 . . . . 0.0 118.325 -178.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -70.33 128.82 37.54 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 175.118 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -89.12 120.22 30.32 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.358 0.663 . . . . 0.0 111.849 -175.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -113.63 136.96 52.25 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.333 1.053 . . . . 0.0 110.291 179.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.38 -39.37 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 123.822 0.849 . . . . 0.0 110.95 178.102 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.5 149.03 34.92 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.358 177.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.75 -19.92 62.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.601 176.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -63.44 -57.08 11.43 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.97 62.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.293 1.037 . . . . 0.0 109.293 177.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.33 -47.11 86.63 Favored 'General case' 0 N--CA 1.439 -0.984 0 O-C-N 121.545 -0.722 . . . . 0.0 111.584 177.16 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -53.7 -46.87 70.89 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -62.58 -31.91 72.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 176.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.07 -28.08 62.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 119.582 1.083 . . . . 0.0 110.464 -178.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -53.65 -22.01 7.98 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 118.164 -0.922 . . . . 0.0 112.612 178.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -48.43 -30.19 4.81 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.144 0.884 . . . . 0.0 112.418 177.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -25.28 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 119.431 1.014 . . . . 0.0 112.534 179.076 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -112.94 -59.1 2.06 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.269 1.028 . . . . 0.0 112.293 -176.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt . . . . . 0 N--CA 1.447 -0.619 0 C-N-CA 129.298 3.039 . . . . 0.0 112.744 -174.954 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -116.83 133.65 55.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -18.74 64.84 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.58 -52.93 3.92 Favored Glycine 0 CA--C 1.528 0.847 0 O-C-N 121.036 -1.04 . . . . 0.0 112.062 178.118 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.32 -29.35 69.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -157.06 108.53 2.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 175.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.93 53.53 0.35 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -173.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -77.32 135.21 38.37 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -79.19 113.62 17.46 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.296 1.039 . . . . 0.0 112.163 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.32 108.26 16.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.349 1.46 . . . . 0.0 108.241 178.109 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.09 -46.58 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.027 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.19 136.79 32.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.839 1.256 . . . . 0.0 111.395 -177.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -61.0 -39.15 88.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.52 -40.75 83.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.503 0.721 . . . . 0.0 109.819 176.721 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.47 86.6 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -57.51 -54.05 51.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.88 -50.85 60.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.389 0.676 . . . . 0.0 109.842 179.25 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -57.45 -42.51 82.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.957 0.503 . . . . 0.0 110.241 178.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -60.01 -31.96 70.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.869 -0.52 . . . . 0.0 110.585 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.33 -6.92 1.1 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.313 0.961 . . . . 0.0 113.258 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -52.14 -35.7 49.23 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.516 1.053 . . . . 0.0 109.029 172.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -20.22 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 118.216 0.462 . . . . 0.0 112.083 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.37 110.26 0.38 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.303 1.441 . . . . 0.0 109.588 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.622 0 C-N-CA 124.175 0.99 . . . . 0.0 108.495 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -133.12 143.72 49.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.6 t -73.22 109.08 6.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.258 0.481 . . . . 0.0 110.738 -178.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.54 -30.68 13.44 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 118.416 0.553 . . . . 0.0 113.263 178.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.68 -17.19 42.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.936 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 p -155.09 17.14 0.42 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 121.186 1.812 . . . . 0.0 115.094 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 44.8 12.46 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 130.0 3.32 . . . . 0.0 118.187 177.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.91 144.01 57.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 174.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 p -87.81 122.44 31.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.941 1.697 . . . . 0.0 110.622 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.411 ' C ' ' H ' ' A' ' 12' ' ' GLU . 93.9 m-85 -111.84 -28.67 7.97 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 123.943 0.897 . . . . 0.0 111.873 179.874 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 71.55 -28.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 126.682 1.993 . . . . 0.0 114.287 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 10' ' ' PHE . 7.8 pt-20 -129.57 144.54 51.31 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.066 1.347 . . . . 0.0 111.571 179.249 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -55.6 -39.4 70.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.138 1.375 . . . . 0.0 110.956 179.439 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -59.46 5.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.344 0.657 . . . . 0.0 110.382 -178.559 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.58 80.58 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.23 -57.88 10.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.835 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -57.88 -43.54 86.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.877 -0.514 . . . . 0.0 110.526 -178.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -58.7 -39.19 80.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.165 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CE1' HG13 ' A' ' 22' ' ' VAL . 60.3 t60 -66.26 -44.2 84.31 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.836 -1.078 . . . . 0.0 108.546 177.596 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.01 7.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.11 -31.05 72.1 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 103.911 -2.625 . . . . 0.0 103.911 166.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.402 HG13 ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -74.92 147.92 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.17 2.588 . . . . 0.0 107.4 173.916 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 73.84 -63.66 0.42 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.334 1.854 . . . . 0.0 106.809 -175.242 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tptm . . . . . 0 N--CA 1.439 -1.003 1 C-N-CA 133.323 4.649 . . . . 0.0 110.565 176.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.41 142.85 34.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.145 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -15.23 57.1 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.849 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.28 -55.27 4.6 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.396 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 mt -69.09 -27.29 65.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 p -157.7 97.28 1.57 Allowed 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 177.027 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.97 61.47 0.42 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -174.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -84.72 133.47 34.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 175.048 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -74.8 90.13 2.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.475 0.71 . . . . 0.0 112.426 -176.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -78.75 124.16 27.91 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -49.26 -36.79 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.442 1.097 . . . . 0.0 113.906 -177.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -145.8 158.94 43.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.267 0.556 . . . . 0.0 111.755 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.24 -33.4 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 111.589 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.494 0.717 . . . . 0.0 109.456 177.587 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.46 95.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.0 -59.44 5.26 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 123.419 0.688 . . . . 0.0 109.732 178.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 p -58.62 -42.73 88.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.679 -0.638 . . . . 0.0 109.954 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -56.7 -42.61 79.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CE1' HG13 ' A' ' 22' ' ' VAL . 43.9 t60 -62.77 -43.18 99.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 177.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.51 4.49 0.24 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -60.79 -29.89 69.72 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 167.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.406 HG13 ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -76.57 147.0 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 128.992 2.917 . . . . 0.0 107.72 174.878 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 73.15 -61.02 0.52 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.888 1.675 . . . . 0.0 108.502 -176.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? . . . . . 0 N--CA 1.446 -0.659 0 C-N-CA 128.109 2.564 . . . . 0.0 110.868 179.742 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -132.34 149.06 52.43 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.079 0.552 . . . . 0.0 109.764 -178.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -82.16 -30.99 30.71 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 124.013 0.925 . . . . 0.0 112.114 -179.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.5 -49.56 3.64 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.5 mt -70.48 -14.82 62.68 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 117.8 0.8 . . . . 0.0 110.72 179.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 p -161.35 125.71 3.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 175.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 58.78 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -91.7 144.21 25.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -96.13 126.37 41.31 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.733 1.213 . . . . 0.0 108.993 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -116.22 127.32 54.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.824 1.25 . . . . 0.0 108.937 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.0 m -66.31 -32.29 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.879 0.471 . . . . 0.0 111.847 -178.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -141.09 147.8 39.12 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.731 0.813 . . . . 0.0 110.035 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -56.25 -33.52 65.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.85 0.86 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -44.78 84.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.803 1.241 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.35 90.42 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.67 -40.89 96.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 O-C-N 122.247 -0.283 . . . . 0.0 110.319 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -52.72 -42.46 64.88 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -73.86 -22.21 59.83 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 175.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -71.96 -30.35 65.2 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 120.676 -1.265 . . . . 0.0 110.284 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.34 6.8 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 178.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -57.88 -37.98 74.93 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 168.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.5 m -89.32 147.4 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 175.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 72.77 -61.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 109.989 -177.021 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp . . . . . 0 N--CA 1.445 -0.689 0 C-N-CA 126.959 2.104 . . . . 0.0 111.063 -179.14 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.73 133.89 36.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.4 -52.44 37.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.26 1.424 . . . . 0.0 114.822 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.24 -51.26 0.74 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -178.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.97 -17.94 60.94 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -156.19 -157.16 0.69 Allowed 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -114.27 -110.02 0.36 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.367 0.667 . . . . 0.0 110.697 -177.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 62.11 110.85 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.875 2.07 . . . . 0.0 110.154 -178.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 m -75.03 87.41 2.36 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.127 -0.983 . . . . 0.0 111.481 -178.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 86.9 m-85 -76.77 112.32 13.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.193 0.597 . . . . 0.0 110.127 179.622 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -47.03 -42.6 6.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.096 1.358 . . . . 0.0 113.53 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.94 156.4 36.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 122.282 1.039 . . . . 0.0 112.364 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.35 -26.47 68.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.549 176.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 p -65.08 -53.23 48.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.68 83.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 110.149 177.751 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -53.54 57.23 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.09 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -56.06 -46.4 78.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.802 -0.561 . . . . 0.0 110.013 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -57.89 -42.24 84.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 59.6 t60 -60.04 -34.73 73.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.759 -0.588 . . . . 0.0 110.129 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -62.42 2.12 0.29 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 120.003 1.274 . . . . 0.0 114.032 175.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.48 -29.26 68.94 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 169.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.1 m -95.36 149.58 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 174.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.08 -63.9 0.26 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 128.014 2.526 . . . . 0.0 112.202 -178.111 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tptm . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -175.361 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 147.45 33.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.587 0.355 . . . . 0.0 110.832 -178.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 t -81.86 110.07 16.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.022 0.929 . . . . 0.0 111.596 -179.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.09 -23.4 11.86 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-N 118.265 0.484 . . . . 0.0 114.056 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.7 mt -92.31 -16.98 25.35 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.289 1.035 . . . . 0.0 113.606 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 p -158.46 17.69 0.21 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.643 1.565 . . . . 0.0 115.208 -177.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 35.48 36.58 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.302 3.041 . . . . 0.0 117.036 177.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -75.16 141.74 43.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 173.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -86.19 132.2 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.337 1.055 . . . . 0.0 111.261 -178.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CE2' HD21 ' A' ' 16' ' ' LEU . 92.7 m-85 -127.77 125.19 39.42 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 124.457 1.103 . . . . 0.0 109.634 178.758 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.89 -37.35 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 124.771 1.228 . . . . 0.0 112.845 -179.578 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -144.51 158.65 43.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.09 0.556 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -53.46 22.56 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -176.772 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -47.21 56.32 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.248 0.931 . . . . 0.0 112.822 -175.5 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.94 -46.03 78.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.145 0.578 . . . . 0.0 110.009 178.36 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 tm? -65.21 -48.67 72.57 Favored 'General case' 0 N--CA 1.438 -1.035 0 O-C-N 121.898 -0.501 . . . . 0.0 110.864 179.77 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -54.4 -46.95 73.23 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.491 -0.756 . . . . 0.0 109.362 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -58.79 -40.62 84.55 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.163 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -59.8 -34.68 73.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.626 -179.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.64 0.82 0.45 Allowed 'General case' 0 C--N 1.342 0.277 0 CA-C-N 120.2 1.363 . . . . 0.0 114.644 176.645 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -66.23 -30.76 71.27 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 m -81.39 153.51 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 172.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 74.79 -65.42 0.34 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.738 1.615 . . . . 0.0 108.539 -175.408 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 CA--C 1.535 0.367 0 C-N-CA 128.172 2.589 . . . . 0.0 112.409 -177.514 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 N--CA 1.457 -0.119 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -107.38 142.21 37.55 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.317 1.047 . . . . 0.0 109.578 -178.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -19.16 34.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.748 0.819 . . . . 0.0 112.645 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.34 -53.93 4.5 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.132 -0.98 . . . . 0.0 111.177 179.177 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.7 -16.99 62.84 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.749 0.774 . . . . 0.0 110.309 178.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -164.3 121.36 1.66 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 176.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -77.21 58.93 1.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.493 -0.754 . . . . 0.0 112.588 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -89.5 136.29 33.12 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 174.27 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -83.38 120.31 25.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.617 0.767 . . . . 0.0 111.387 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -111.9 142.52 44.19 Favored 'General case' 0 C--O 1.228 -0.062 0 C-N-CA 124.431 1.093 . . . . 0.0 109.74 178.67 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.39 -34.57 69.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -153.95 167.67 28.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.483 0.659 . . . . 0.0 112.514 -178.761 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -52.9 -40.41 63.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.351 1.46 . . . . 0.0 110.48 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -56.82 -54.77 42.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.707 -0.621 . . . . 0.0 110.052 178.049 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.28 88.3 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -52.27 65.15 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.659 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -58.27 -45.18 88.35 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.851 -0.531 . . . . 0.0 110.3 -179.464 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -58.3 -44.24 88.45 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -62.24 -36.41 81.94 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.366 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -63.13 0.88 0.53 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.725 2.057 . . . . 0.0 114.654 174.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -59.85 -32.96 71.18 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 168.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.6 t -77.74 142.86 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 C-N-CA 128.482 2.713 . . . . 0.0 106.339 175.447 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 -70.74 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 127.229 2.212 . . . . 0.0 113.572 178.099 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 124.058 0.943 . . . . 0.0 111.708 -174.329 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -101.29 130.37 47.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.668 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -12.58 61.6 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.56 -55.39 4.42 Favored Glycine 0 CA--C 1.526 0.781 0 O-C-N 120.91 -1.119 . . . . 0.0 111.706 178.112 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.24 -28.81 67.55 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.23 108.12 2.97 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 103.312 -2.848 . . . . 0.0 103.312 175.673 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.37 56.41 1.07 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -174.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -77.15 123.9 27.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.633 -2.729 . . . . 0.0 103.633 173.837 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -76.25 90.27 3.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.106 0.562 . . . . 0.0 112.332 -176.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -78.42 132.71 37.43 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.5 t -60.84 -40.59 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 C-N-CA 124.458 1.103 . . . . 0.0 112.085 -178.204 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -126.74 157.45 39.09 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.41 0.684 . . . . 0.0 112.448 -177.682 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -24.07 67.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.106 176.578 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -64.75 -57.12 9.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 178.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.35 -43.95 71.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.701 177.361 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -54.17 50.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.063 0.545 . . . . 0.0 109.734 178.289 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -56.5 -45.0 81.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.754 -0.591 . . . . 0.0 109.995 -179.573 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -57.84 -45.95 85.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.065 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.62 -35.14 73.77 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.521 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -64.12 1.76 0.66 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 121.867 2.121 . . . . 0.0 114.909 174.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.5 mtp85 -60.89 -30.58 70.25 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 168.02 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.25 17.2 t -79.55 144.54 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 C-N-CA 127.857 2.463 . . . . 0.0 106.606 176.141 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.71 -46.65 0.39 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 176.002 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 125.032 1.333 . . . . 0.0 113.843 -171.399 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 C--O 1.233 0.217 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -140.04 154.22 47.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.835 1.654 . . . . 0.0 106.969 177.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.59 -33.07 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.01 -49.35 3.99 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -75.02 1.45 12.96 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 117.494 0.647 . . . . 0.0 110.365 176.575 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.1 p -179.35 153.37 0.58 Allowed 'General case' 0 N--CA 1.44 -0.972 1 C-N-CA 131.969 4.108 . . . . 0.0 101.71 177.228 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -102.72 40.4 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.573 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -72.68 141.82 48.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 172.825 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 t -95.85 142.23 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.014 0.526 . . . . 0.0 110.03 -178.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 53.6 m-85 -142.61 132.0 23.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.981 0.512 . . . . 0.0 111.921 -177.828 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -84.42 -42.63 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.394 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.47 114.7 25.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.057 1.343 . . . . 0.0 110.608 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.99 73.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.353 0.261 . . . . 0.0 110.482 178.186 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.2 -48.82 79.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.955 0.902 . . . . 0.0 110.404 178.902 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.14 84.86 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.508 ' CD1' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -61.68 -44.42 96.97 Favored 'General case' 0 N--CA 1.437 -1.116 0 O-C-N 121.947 -0.471 . . . . 0.0 111.604 178.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -53.92 -47.38 71.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.587 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -65.32 -32.0 73.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.477 176.679 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -67.85 -28.25 67.38 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.179 0.9 . . . . 0.0 110.162 -176.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -51.82 -25.35 7.57 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.132 178.015 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -43.15 -34.63 1.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.206 1.002 . . . . 0.0 112.836 178.097 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.85 -30.49 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.203 0.911 . . . . 0.0 112.493 -179.542 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -105.92 -57.12 2.09 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.681 1.193 . . . . 0.0 110.758 -177.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 tptt . . . . . 0 N--CA 1.446 -0.638 0 C-N-CA 129.757 3.223 . . . . 0.0 112.294 -177.426 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 146.58 35.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.653 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.2 -51.12 5.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.871 0.868 . . . . 0.0 111.4 -178.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.34 -50.07 0.81 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.45 -20.23 60.76 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.851 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 p -161.58 -157.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 102.621 -3.103 . . . . 0.0 102.621 175.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -165.78 111.61 0.88 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.967 1.307 . . . . 0.0 108.612 -178.763 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -136.58 146.81 46.54 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.678 1.991 . . . . 0.0 105.862 178.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -71.94 64.23 0.5 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -173.801 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CE2' ' CG ' ' A' ' 19' ' ' HIS . 42.7 m-85 -78.77 83.36 4.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.284 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 p -41.06 -36.92 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 126.647 1.979 . . . . 0.0 114.457 -177.271 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -118.62 138.04 52.86 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.028 0.931 . . . . 0.0 110.571 179.558 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -48.61 -39.57 24.46 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.284 1.034 . . . . 0.0 112.221 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -55.15 -44.8 75.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.703 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.63 78.78 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -74.52 -40.83 61.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 O-C-N 121.461 -0.774 . . . . 0.0 110.453 -179.642 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -51.82 -45.33 63.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.658 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -65.87 -38.92 90.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.587 175.279 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CG ' ' CE2' ' A' ' 10' ' ' PHE . 32.7 t60 -59.34 -30.63 68.51 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 120.838 1.654 . . . . 0.0 112.092 -178.798 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -55.19 -11.81 0.81 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.247 0.93 . . . . 0.0 113.04 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -47.27 -39.23 13.95 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.591 1.087 . . . . 0.0 109.759 173.024 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.69 -23.91 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.088 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.47 89.55 0.84 Allowed 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.409 1.083 . . . . 0.0 110.776 -179.206 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 CA--C 1.536 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 111.071 -179.945 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -89.69 139.32 30.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.149 0.58 . . . . 0.0 111.153 -178.662 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.24 -27.5 60.8 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.242 0.617 . . . . 0.0 112.113 178.483 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.26 -55.01 4.81 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -178.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.29 -34.22 72.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.506 0.653 . . . . 0.0 109.999 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.0 p -151.13 80.41 1.31 Allowed 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 178.125 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -48.75 63.17 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.114 3.366 . . . . 0.0 117.694 -174.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -95.62 142.93 27.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 173.529 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -88.17 112.56 22.87 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.268 1.427 . . . . 0.0 111.123 -177.874 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 86.4 m-85 -99.32 140.23 33.79 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.902 0.881 . . . . 0.0 112.366 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.2 55.44 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 129.93 3.292 . . . . 0.0 109.414 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 113.58 150.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 131.455 3.902 . . . . 0.0 113.222 176.687 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -53.83 -32.02 51.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.19 173.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.55 -45.92 63.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.696 1.598 . . . . 0.0 111.093 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.71 59.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' A' ' 10' ' ' PHE . 3.6 tp -59.97 -35.94 76.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.514 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -50.86 -41.01 57.57 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.611 -0.68 . . . . 0.0 109.255 177.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -76.43 -30.58 57.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.714 0.805 . . . . 0.0 109.824 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -66.35 -39.63 89.31 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 119.903 1.229 . . . . 0.0 109.552 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -53.24 -25.43 14.2 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 120.136 1.335 . . . . 0.0 112.842 179.12 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -47.25 -32.42 4.55 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.538 1.063 . . . . 0.0 111.058 176.662 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.79 -33.77 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 127.326 2.25 . . . . 0.0 111.905 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.86 -58.6 2.12 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.343 1.457 . . . . 0.0 109.328 -177.637 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 N--CA 1.446 -0.663 0 C-N-CA 131.508 3.923 . . . . 0.0 115.098 179.437 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 123.61 24.22 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.05 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -18.13 29.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.283 1.033 . . . . 0.0 109.111 178.711 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.99 -54.87 1.34 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 106.355 -2.698 . . . . 0.0 106.355 -179.088 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mp -76.1 -30.39 58.25 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.37 -144.02 0.14 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 176.634 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -174.41 135.36 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.923 2.089 . . . . 0.0 107.26 -175.373 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 mpt_? -150.89 146.19 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.481 1.513 . . . . 0.0 109.709 176.615 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -75.69 56.52 0.92 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.683 1.193 . . . . 0.0 113.592 -177.761 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' C ' ' H ' ' A' ' 12' ' ' GLU . 85.5 m-85 -75.65 -39.41 57.74 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.956 -0.465 . . . . 0.0 110.587 178.229 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.257 0.3 OUTLIER 70.62 -30.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.824 2.85 . . . . 0.0 112.651 -177.711 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -85.64 105.96 16.59 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.91 1.684 . . . . 0.0 108.569 176.518 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -44.23 -43.85 7.52 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.333 1.453 . . . . 0.0 112.297 177.554 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -62.66 -48.76 77.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.952 0.501 . . . . 0.0 110.544 -179.241 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.32 78.33 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -55.54 33.51 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.652 178.054 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -54.13 -40.97 67.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 109.044 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.93 -29.6 70.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -62.89 -44.32 96.4 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 119.442 1.019 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -49.58 -19.25 0.55 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -48.42 -37.97 18.48 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.852 1.206 . . . . 0.0 108.289 173.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.63 -34.42 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 128.064 2.546 . . . . 0.0 113.435 177.863 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.9 65.18 0.65 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.334 1.454 . . . . 0.0 108.552 179.526 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.543 1.137 . . . . 0.0 110.002 -179.398 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -61.84 120.88 11.59 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -85.11 124.87 32.28 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.55 -22.67 22.75 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.896 1.678 . . . . 0.0 114.489 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.92 -53.71 4.62 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.5 mt -70.15 -36.62 74.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.392 0.596 . . . . 0.0 109.898 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.13 8.33 2.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 38.59 25.73 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.52 131.17 45.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 174.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -79.37 92.92 5.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.659 1.184 . . . . 0.0 112.806 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -83.43 112.78 20.25 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -47.68 -36.48 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 124.684 1.194 . . . . 0.0 114.01 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.33 143.48 50.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.164 0.986 . . . . 0.0 111.399 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.8 -28.86 69.76 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.103 0.961 . . . . 0.0 111.531 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -52.22 66.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.03 92.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.85 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.22 -50.78 72.36 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 118.645 0.657 . . . . 0.0 109.463 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -55.68 -52.9 62.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -44.97 78.44 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.632 0.773 . . . . 0.0 110.234 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -56.59 -29.79 62.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.974 0.91 . . . . 0.0 111.049 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -56.65 -18.49 12.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 120.739 1.608 . . . . 0.0 113.859 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -29.31 15.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 121.116 1.78 . . . . 0.0 110.647 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.52 -24.98 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 127.675 2.39 . . . . 0.0 112.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -133.16 -48.57 0.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.727 0.811 . . . . 0.0 112.231 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 41.84 43.82 2.66 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 129.233 3.013 . . . . 0.0 112.635 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.61 31.85 15.92 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.415 1.086 . . . . 0.0 111.734 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 O-C-N 121.145 -0.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.015 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -78.33 117.56 19.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -84.73 120.66 26.66 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 t -65.58 113.18 4.02 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.71 -34.65 3.9 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.927 0.785 . . . . 0.0 114.083 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.1 mt -82.01 -18.65 42.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.7 p -159.41 18.54 0.17 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.096 1.771 . . . . 0.0 114.945 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 33.46 34.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 130.454 3.502 . . . . 0.0 118.269 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -75.25 136.48 40.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 104.592 -2.373 . . . . 0.0 104.592 173.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -81.74 98.73 8.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.213 1.405 . . . . 0.0 112.445 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 90.5 m-85 -85.81 141.02 29.95 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.352 0.661 . . . . 0.0 111.595 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 p -53.72 -40.83 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 C-N-CA 126.859 2.064 . . . . 0.0 112.989 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.08 163.27 40.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.802 0.728 . . . . 0.0 111.492 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -53.03 -32.48 47.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.247 1.419 . . . . 0.0 113.17 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 p -63.37 -58.71 6.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.39 69.6 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.664 0.786 . . . . 0.0 109.839 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.62 -56.26 24.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.27 0.628 . . . . 0.0 109.746 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -55.04 -50.46 69.03 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.047 0.539 . . . . 0.0 109.892 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -58.59 -43.41 89.48 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.951 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.0 t60 -58.29 -28.26 64.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.082 -176.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -51.52 -26.49 8.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.184 0.902 . . . . 0.0 111.961 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -43.28 -34.88 1.29 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.252 1.021 . . . . 0.0 113.531 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -62.91 -33.07 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 119.136 0.88 . . . . 0.0 111.66 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -100.1 -53.74 3.06 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.383 1.073 . . . . 0.0 110.395 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? 41.6 44.89 2.75 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 129.172 2.989 . . . . 0.0 111.598 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -68.62 127.31 32.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.751 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 122.064 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -74.26 125.51 28.59 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -93.3 127.05 38.73 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -62.68 114.34 3.54 Favored 'General case' 0 C--O 1.224 -0.274 0 O-C-N 121.774 -0.579 . . . . 0.0 110.254 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.95 5.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 118.912 0.778 . . . . 0.0 113.656 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.16 -20.82 47.53 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.6 p -156.82 19.08 0.32 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.417 1.917 . . . . 0.0 114.917 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 31.04 41.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 130.013 3.325 . . . . 0.0 117.546 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -82.14 139.46 34.35 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 171.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -84.23 125.0 31.81 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 112.394 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.5 m-85 -121.43 121.84 38.45 Favored 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 125.117 1.367 . . . . 0.0 107.663 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.6 -37.97 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -115.81 148.08 40.28 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.946 0.879 . . . . 0.0 112.615 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.03 -36.37 72.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.033 1.333 . . . . 0.0 110.199 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.28 66.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.689 0.795 . . . . 0.0 108.95 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.59 96.5 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.83 -53.85 53.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 118.466 0.576 . . . . 0.0 109.622 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -57.16 -50.2 73.57 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.463 0.705 . . . . 0.0 109.942 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -62.04 -36.52 81.85 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.274 -0.266 . . . . 0.0 111.113 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 32.0 t60 -61.5 -27.93 68.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.647 -0.658 . . . . 0.0 111.261 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -51.65 -25.94 8.1 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.125 0.875 . . . . 0.0 112.284 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -47.77 -30.18 3.73 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.89 0.876 . . . . 0.0 113.044 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.02 -34.37 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 119.992 1.269 . . . . 0.0 111.149 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -95.29 -55.2 3.14 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 124.085 0.954 . . . . 0.0 109.551 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.53 32.2 0.14 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 129.533 3.133 . . . . 0.0 114.27 -176.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -78.43 65.69 3.8 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.424 -0.798 . . . . 0.0 110.209 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 O-C-N 121.941 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.043 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -72.76 113.78 10.18 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -101.52 141.33 34.54 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.858 0.863 . . . . 0.0 110.262 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.5 t -67.39 116.27 7.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.809 0.844 . . . . 0.0 109.603 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.74 -35.48 38.67 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 117.87 0.305 . . . . 0.0 112.372 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -79.29 -12.4 59.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.581 0.752 . . . . 0.0 112.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.324 25.5 p -155.01 -99.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.733 1.151 . . . . 0.0 111.407 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -164.52 -125.25 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.727 1.603 . . . . 0.0 108.888 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 60.76 119.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.954 2.102 . . . . 0.0 112.562 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p -78.56 97.38 5.74 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 120.66 -1.275 . . . . 0.0 109.524 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.433 ' C ' ' H ' ' A' ' 12' ' ' GLU . 82.3 m-85 -82.3 -39.43 22.92 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 122.877 0.471 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 70.6 -32.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 113.729 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 10' ' ' PHE . 3.4 mp0 -99.34 123.22 43.44 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.463 1.505 . . . . 0.0 108.74 178.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -57.75 -31.78 66.82 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.576 0.351 . . . . 0.0 111.048 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 p -64.59 -53.48 47.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.79 87.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.112 0.565 . . . . 0.0 109.682 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.68 -54.97 39.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.087 0.955 . . . . 0.0 109.574 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -56.29 -46.6 79.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.53 0.732 . . . . 0.0 110.563 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -64.75 -36.54 84.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.063 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.2 t60 -62.74 -29.68 70.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.427 1.012 . . . . 0.0 110.903 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -51.18 -26.54 7.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.734 -1.127 . . . . 0.0 113.878 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -46.33 -31.48 2.6 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.68 1.127 . . . . 0.0 113.635 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -60.18 -33.92 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.198 0.908 . . . . 0.0 111.427 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -101.22 -50.46 3.77 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.704 1.202 . . . . 0.0 110.256 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? 45.79 30.59 0.87 Allowed 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 129.581 3.152 . . . . 0.0 113.794 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 62.42 -63.31 0.1 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.991 2.117 . . . . 0.0 113.808 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 O-C-N 121.598 -0.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -65.34 125.06 23.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -93.96 133.09 37.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.265 1.026 . . . . 0.0 108.953 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.99 -49.07 73.93 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.87 -49.9 1.39 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.83 -18.55 62.07 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 p -157.8 -162.43 1.17 Allowed 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.79 102.33 2.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.622 0.725 . . . . 0.0 110.668 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -139.18 128.0 23.46 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -79.48 93.96 5.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.905 0.882 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 76.9 m-85 -80.2 135.64 36.31 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.961 0.41 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.44 -36.96 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 125.459 1.503 . . . . 0.0 114.017 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.85 164.14 36.15 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.012 0.824 . . . . 0.0 112.321 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -51.42 -40.51 59.49 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.772 1.229 . . . . 0.0 111.21 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -51.97 67.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.052 0.941 . . . . 0.0 110.101 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.43 93.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.294 0.637 . . . . 0.0 110.176 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.57 -52.46 63.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.381 1.072 . . . . 0.0 109.856 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 t -57.09 -53.02 62.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.326 1.051 . . . . 0.0 108.282 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -43.27 74.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.041 0.536 . . . . 0.0 109.57 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 37.4 t60 -58.79 -29.27 66.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.365 0.529 . . . . 0.0 111.596 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -53.24 -25.0 12.67 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.452 1.023 . . . . 0.0 111.961 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -44.72 -33.86 2.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.025 0.93 . . . . 0.0 112.782 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -65.53 -32.79 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 119.231 0.923 . . . . 0.0 112.327 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -100.93 -53.08 3.14 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.081 0.953 . . . . 0.0 110.759 -176.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? 32.51 52.51 0.28 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 130.141 3.376 . . . . 0.0 111.742 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 44.55 34.07 1.04 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.495 1.518 . . . . 0.0 113.925 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.15 0 O-C-N 121.483 -0.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -78.54 146.08 34.48 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -147.61 150.39 34.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.6 124.09 43.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.669 1.588 . . . . 0.0 109.371 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.52 55.64 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.267 0.461 . . . . 0.0 113.175 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -75.39 -19.36 59.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.25 0.62 . . . . 0.0 112.294 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.4 p -165.64 105.04 0.71 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.92 58.01 0.07 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -82.53 132.66 35.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 p -81.92 101.89 10.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.306 1.042 . . . . 0.0 111.172 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CE2' HD21 ' A' ' 16' ' ' LEU . 88.7 m-85 -97.0 126.01 41.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.41 1.084 . . . . 0.0 109.576 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.44 -27.6 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.31 151.38 48.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.761 0.791 . . . . 0.0 112.799 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.01 -40.82 86.08 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.399 1.48 . . . . 0.0 111.463 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.28 -54.7 40.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.162 1.385 . . . . 0.0 109.46 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.89 66.47 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.753 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.5 tm? -59.55 -43.94 93.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 120.952 0.406 . . . . 0.0 111.621 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 m -58.66 -43.63 89.93 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -63.64 -39.44 94.36 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -58.39 -35.58 72.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.521 -0.737 . . . . 0.0 110.709 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -55.07 -14.17 1.47 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -56.21 -26.57 51.55 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.782 1.628 . . . . 0.0 110.939 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.52 -25.39 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 119.968 1.258 . . . . 0.0 111.182 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 82.56 1.13 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.362 1.465 . . . . 0.0 108.149 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -71.09 64.91 0.36 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.612 1.565 . . . . 0.0 111.089 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -77.17 -35.63 55.77 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 125.678 1.591 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.162 0 O-C-N 121.867 -0.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.034 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -124.63 138.89 54.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.752 1.221 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -100.91 133.36 45.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.474 0.71 . . . . 0.0 109.141 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -73.0 109.97 6.93 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.114 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 -39.0 3.96 Favored Glycine 0 CA--C 1.534 1.277 0 CA-C-N 118.762 0.71 . . . . 0.0 113.924 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.83 -20.84 57.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 p -154.92 15.12 0.42 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.265 1.848 . . . . 0.0 114.988 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 43.72 17.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 129.557 3.143 . . . . 0.0 117.635 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -63.85 138.64 58.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 173.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.5 m -93.15 116.87 29.44 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.275 1.03 . . . . 0.0 110.053 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.56 126.05 51.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.538 1.535 . . . . 0.0 109.044 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.75 -33.1 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.555 1.542 . . . . 0.0 114.051 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.75 155.22 44.11 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.528 0.68 . . . . 0.0 111.116 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.49 -33.66 66.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.312 1.045 . . . . 0.0 110.806 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -53.48 57.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.397 0.679 . . . . 0.0 109.541 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.6 99.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.21 -53.83 51.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 109.801 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 m -58.03 -52.68 64.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.58 -37.38 70.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -67.03 -25.68 66.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.309 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -51.32 -27.43 9.56 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.507 1.049 . . . . 0.0 113.67 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -41.75 -35.87 0.88 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.264 1.026 . . . . 0.0 113.619 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -62.61 -31.47 52.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 118.99 0.813 . . . . 0.0 112.197 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -103.76 -53.71 2.71 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.804 1.241 . . . . 0.0 109.864 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 tttp 47.05 48.39 15.6 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 128.92 2.888 . . . . 0.0 111.193 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.02 -45.75 0.09 Allowed 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 123.612 0.765 . . . . 0.0 110.094 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 118.081 0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -77.23 148.81 35.62 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -132.62 145.61 51.23 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -26.76 52.22 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 112.471 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.68 -51.79 3.79 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.31 -0.869 . . . . 0.0 111.765 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.38 -24.43 64.78 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 117.798 0.799 . . . . 0.0 109.737 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.9 p -150.55 108.85 3.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.0 59.27 0.16 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -173.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -93.68 141.78 28.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -90.27 118.4 29.75 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 124.061 0.944 . . . . 0.0 110.615 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -108.46 120.75 43.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.186 1.394 . . . . 0.0 109.521 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.69 -33.31 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.779 -0.191 . . . . 0.0 111.504 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -125.75 138.52 53.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.145 0.978 . . . . 0.0 111.354 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.16 -27.23 68.81 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.835 0.854 . . . . 0.0 112.389 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -59.96 -58.21 9.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.716 1.206 . . . . 0.0 108.637 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -47.86 68.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.475 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.56 -48.68 80.71 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 122.208 -0.308 . . . . 0.0 111.402 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -56.35 -46.66 79.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.9 tpt85 -60.14 -37.83 81.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.526 0.33 . . . . 0.0 110.113 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -65.58 -36.3 83.36 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.917 0.887 . . . . 0.0 108.908 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.48 -15.2 6.31 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 121.137 1.789 . . . . 0.0 114.133 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -57.04 -26.18 59.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 121.398 1.908 . . . . 0.0 110.018 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.23 -33.94 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 126.737 2.015 . . . . 0.0 110.475 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.03 74.54 0.72 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.787 1.235 . . . . 0.0 108.89 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 66.52 2.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.096 0.958 . . . . 0.0 110.42 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.71 67.05 0.77 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.553 1.141 . . . . 0.0 110.23 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 O-C-N 121.518 -0.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -117.8 149.0 41.54 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 127.605 2.362 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -112.54 134.17 54.21 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -24.23 65.85 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.18 -49.92 4.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 120.936 -1.103 . . . . 0.0 111.432 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.84 -21.14 61.0 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.157 -0.613 . . . . 0.0 110.057 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 p -160.34 120.86 2.93 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.36 65.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.414 1.085 . . . . 0.0 113.344 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -104.23 146.23 29.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 m -92.97 126.03 37.85 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 123.249 0.619 . . . . 0.0 111.02 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -118.4 118.57 32.12 Favored 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 124.564 1.146 . . . . 0.0 108.788 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.1 m -57.34 -36.26 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -132.97 157.1 46.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.066 0.936 . . . . 0.0 112.37 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.24 -22.84 66.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.373 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -63.95 -62.34 1.7 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -45.02 30.05 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.391 0.676 . . . . 0.0 109.959 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.36 -56.59 19.88 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.329 0.652 . . . . 0.0 111.023 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -51.83 -46.78 64.47 Favored 'General case' 0 C--N 1.34 0.152 0 O-C-N 122.095 -0.378 . . . . 0.0 110.6 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -65.99 -40.21 91.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -60.1 -37.02 78.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.566 -0.709 . . . . 0.0 111.485 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -47.37 -30.94 3.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -49.22 -24.7 1.86 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.21 -35.13 74.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 120.384 1.447 . . . . 0.0 111.092 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -99.76 -47.14 5.17 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.55 1.14 . . . . 0.0 110.691 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt 76.66 12.83 2.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 130.208 3.403 . . . . 0.0 112.0 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.14 -39.43 11.59 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.639 1.176 . . . . 0.0 109.375 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.12 0 O-C-N 122.203 -0.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -66.01 130.28 42.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -96.49 124.34 40.45 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -21.82 65.2 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 -50.9 4.26 Favored Glycine 0 CA--C 1.527 0.808 0 O-C-N 121.052 -1.03 . . . . 0.0 111.402 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -67.97 -25.37 65.4 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.6 p -157.17 118.63 3.71 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 102.277 -3.231 . . . . 0.0 102.277 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.06 49.96 0.2 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 ttt-85 -89.05 144.65 25.99 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -86.42 129.53 34.82 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.683 1.193 . . . . 0.0 112.015 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CD1' ' CD2' ' A' ' 16' ' ' LEU . 82.8 m-85 -123.48 135.7 54.2 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 124.665 1.186 . . . . 0.0 109.234 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -79.21 -32.21 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.79 154.62 50.09 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.608 0.718 . . . . 0.0 112.612 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -57.91 -43.56 86.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.895 0.878 . . . . 0.0 110.723 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -54.65 -41.44 70.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.89 0.876 . . . . 0.0 111.02 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.05 88.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' CD2' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.57 -51.24 70.27 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 123.138 0.575 . . . . 0.0 109.612 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 m -50.41 -52.94 33.2 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.207 1.003 . . . . 0.0 109.391 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -62.36 -44.96 95.25 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -55.85 -36.25 67.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.947 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -52.16 -25.39 8.87 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 121.178 1.808 . . . . 0.0 113.655 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -49.93 -30.47 10.33 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.535 1.061 . . . . 0.0 111.083 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.95 -36.64 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.917 2.087 . . . . 0.0 111.933 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -109.59 -52.74 2.74 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 124.275 1.03 . . . . 0.0 109.955 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt 42.52 54.22 4.48 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 128.633 2.773 . . . . 0.0 111.292 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -72.07 58.87 0.37 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.499 1.12 . . . . 0.0 112.662 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.189 0 O-C-N 121.157 -0.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -82.98 126.26 32.32 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -110.71 145.41 38.07 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.429 0.691 . . . . 0.0 111.058 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.9 t -78.35 -25.34 46.31 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 126.052 1.741 . . . . 0.0 113.644 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.28 -52.13 4.02 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 121.229 -0.919 . . . . 0.0 111.007 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.48 -38.01 83.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 p -146.89 86.71 1.66 Allowed 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.46 59.07 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.838 2.855 . . . . 0.0 118.01 -174.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -84.25 127.39 33.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -84.47 96.13 9.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.925 0.49 . . . . 0.0 110.936 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -84.87 137.1 33.35 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.03 -41.82 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 C-N-CA 124.152 0.981 . . . . 0.0 110.539 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -120.96 146.86 46.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.203 1.001 . . . . 0.0 111.573 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -60.56 -35.54 76.31 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -51.88 58.68 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.756 0.822 . . . . 0.0 110.527 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.84 63.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.59 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -54.39 -46.55 73.12 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 111.801 179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -60.54 -53.61 55.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -56.27 -39.67 73.0 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -60.72 -30.76 70.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.064 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -50.53 -32.94 19.81 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 119.938 1.245 . . . . 0.0 112.979 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -36.02 -37.79 0.12 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 114.331 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 m -56.61 -40.47 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.717 0.689 . . . . 0.0 111.668 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -102.17 -50.54 3.61 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.447 1.099 . . . . 0.0 109.22 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 59.18 1.12 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.294 1.438 . . . . 0.0 108.778 -176.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -64.54 -37.74 88.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.605 1.162 . . . . 0.0 111.127 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.192 0 O-C-N 121.889 -0.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -69.38 112.71 6.1 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.46 148.0 26.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.752 1.221 . . . . 0.0 108.989 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.96 -62.97 1.43 Allowed 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.77 -52.52 0.72 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 109.326 -1.509 . . . . 0.0 109.326 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -15.67 60.82 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -159.83 -164.07 1.26 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 101.808 -3.404 . . . . 0.0 101.808 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.31 106.05 1.73 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.495 -0.753 . . . . 0.0 112.267 -176.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.07 132.98 32.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -74.91 86.57 2.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.188 0.595 . . . . 0.0 110.864 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.36 143.38 44.89 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 m -71.12 -31.96 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.25 153.83 46.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.318 0.58 . . . . 0.0 112.293 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -55.25 -37.1 66.78 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.928 0.891 . . . . 0.0 110.707 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -51.0 63.86 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.258 1.023 . . . . 0.0 110.243 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.63 91.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.249 1.02 . . . . 0.0 110.088 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -46.4 83.3 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.296 1.039 . . . . 0.0 110.052 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -59.76 -54.31 47.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.51 -46.57 70.15 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -55.86 -28.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.081 -0.961 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -59.32 -25.03 63.81 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 121.536 1.971 . . . . 0.0 112.331 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -26.36 5.42 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.148 1.34 . . . . 0.0 111.435 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.87 -37.17 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 C-N-CA 126.987 2.115 . . . . 0.0 111.388 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -124.37 -7.95 7.54 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.863 1.265 . . . . 0.0 114.264 -176.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -68.32 71.72 0.19 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.741 1.216 . . . . 0.0 111.589 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -69.22 69.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.662 1.585 . . . . 0.0 109.962 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 O-C-N 121.638 -0.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.02 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -72.1 132.97 44.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -114.06 148.79 36.49 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.104 0.962 . . . . 0.0 112.847 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.39 111.77 24.07 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 174.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.59 -35.63 11.33 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.281 0.467 . . . . 0.0 114.015 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.6 mt -77.68 -21.23 52.37 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.454 0.702 . . . . 0.0 112.871 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -165.02 93.25 0.61 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.84 61.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -172.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.3 134.14 42.58 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -79.51 87.5 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.643 1.177 . . . . 0.0 111.29 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -84.92 120.58 26.65 Favored 'General case' 0 C--O 1.228 -0.042 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.97 -34.07 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.313 0.645 . . . . 0.0 112.263 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 142.64 51.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.372 1.069 . . . . 0.0 110.426 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -60.24 -31.15 69.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.464 0.705 . . . . 0.0 112.304 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 m -53.76 -48.43 69.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.645 0.778 . . . . 0.0 111.302 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.77 70.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.99 -43.61 70.14 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.014 0.925 . . . . 0.0 110.748 178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 m -61.75 -55.57 28.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -57.14 -34.23 68.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.314 0.246 . . . . 0.0 110.781 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -61.62 -25.04 67.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 109.233 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -65.77 -1.51 2.9 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 121.739 2.063 . . . . 0.0 113.115 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.4 -29.66 69.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.259 21.8 t -79.59 138.13 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.362 0 N-CA-C 103.527 -2.768 . . . . 0.0 103.527 172.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 72.41 -49.1 0.69 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttp 46.68 41.81 10.61 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 127.156 2.182 . . . . 0.0 112.453 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 56.97 27.47 13.24 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.092 0.957 . . . . 0.0 111.572 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.06 0 O-C-N 120.897 -1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -78.7 177.6 8.51 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 120.067 -1.646 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.85 79.6 1.61 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.143 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.98 -29.55 65.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.796 0.438 . . . . 0.0 110.26 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 -51.11 4.52 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.04 -16.4 62.04 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 p -171.47 -175.28 1.58 Allowed 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 103.241 -2.874 . . . . 0.0 103.241 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -150.65 105.5 3.3 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 127.342 2.257 . . . . 0.0 107.588 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -134.95 154.38 51.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.241 1.417 . . . . 0.0 107.567 177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -77.68 78.28 4.18 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -87.82 -37.78 16.26 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.101 0.96 . . . . 0.0 110.128 175.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.259 9.2 m 57.3 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 130.335 3.454 . . . . 0.0 117.051 178.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -132.25 131.56 42.2 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.502 1.121 . . . . 0.0 111.296 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -45.87 -35.8 4.81 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.244 1.818 . . . . 0.0 113.022 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -62.2 2.03 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.285 1.434 . . . . 0.0 109.431 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.87 87.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.711 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -58.37 -47.07 85.0 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.908 0.883 . . . . 0.0 110.336 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -58.69 -56.65 19.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -55.46 -38.92 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.387 -0.196 . . . . 0.0 110.624 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -59.92 -30.55 69.12 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.441 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.38 -27.62 10.43 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 119.836 1.198 . . . . 0.0 113.067 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -45.85 -31.39 2.09 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.016 0.826 . . . . 0.0 113.21 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.58 -30.79 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 119.869 1.213 . . . . 0.0 112.047 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -105.92 -54.9 2.41 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.374 1.07 . . . . 0.0 110.52 -177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? 45.77 52.13 9.83 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 128.733 2.813 . . . . 0.0 110.366 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.0 t30 69.19 -57.24 0.53 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.28 1.832 . . . . 0.0 112.377 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 O-C-N 121.63 -0.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -73.82 143.48 45.93 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -118.7 125.37 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.34 66.12 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.553 0.741 . . . . 0.0 112.72 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.14 3.88 Favored Glycine 0 CA--C 1.527 0.827 0 O-C-N 121.301 -0.874 . . . . 0.0 111.516 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.28 -23.62 64.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.549 0.675 . . . . 0.0 109.353 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 p -155.81 114.61 3.49 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -71.77 61.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.402 1.481 . . . . 0.0 113.812 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -99.06 141.53 31.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 p -82.79 108.47 16.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.128 1.371 . . . . 0.0 111.794 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 69.4 m-85 -102.87 102.65 12.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.691 0.796 . . . . 0.0 109.793 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 p -44.62 -38.25 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 125.946 1.698 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -135.61 162.17 33.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.314 1.054 . . . . 0.0 112.33 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.04 -32.38 67.93 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.016 -1.447 . . . . 0.0 108.571 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 p -64.27 -54.76 28.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.26 69.0 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.031 0.932 . . . . 0.0 110.557 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -53.8 44.52 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.638 0.775 . . . . 0.0 109.448 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -53.69 -49.01 68.96 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.795 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -57.44 -45.09 85.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 76.2 t60 -59.53 -31.28 69.25 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.355 178.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.17 1.71 0.68 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 122.045 2.202 . . . . 0.0 114.324 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.63 -27.08 68.4 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 168.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 21.9 t -82.85 143.1 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 127.969 2.508 . . . . 0.0 104.921 174.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 72.24 -61.7 0.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.707 1.203 . . . . 0.0 112.537 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 56.29 33.43 22.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.099 2.16 . . . . 0.0 111.651 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -165.43 166.13 18.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 117.914 0.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -81.23 178.61 8.29 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.628 1.571 . . . . 0.0 111.752 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -74.69 77.15 2.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.487 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -24.77 66.7 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 176.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.36 -54.53 4.19 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.066 0.841 . . . . 0.0 111.038 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.84 -14.46 60.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.94 0.37 . . . . 0.0 111.518 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -172.0 159.49 5.05 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -132.24 92.4 3.09 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.993 2.117 . . . . 0.0 108.185 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 61.8 mtp180 -115.19 155.29 27.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -72.8 73.96 1.12 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 54.2 m-85 -85.0 -38.63 19.0 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.935 0.894 . . . . 0.0 110.551 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.339 2.5 p 53.34 -0.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 130.634 3.573 . . . . 0.0 118.472 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -138.09 138.64 38.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 125.348 1.459 . . . . 0.0 110.381 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.65 -35.52 66.05 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.408 1.083 . . . . 0.0 111.353 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -59.49 -61.43 2.63 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.455 1.102 . . . . 0.0 109.046 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -45.18 71.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.91 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -54.17 49.95 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 122.878 0.471 . . . . 0.0 109.814 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -54.21 -46.73 72.54 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -59.81 -44.0 94.22 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 16.7 t60 -60.25 -36.16 77.14 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.431 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -55.84 -9.76 0.63 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.95 1.25 . . . . 0.0 113.435 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -55.19 -33.26 62.86 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.982 1.264 . . . . 0.0 109.266 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.26 -32.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 118.911 0.778 . . . . 0.0 110.596 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.44 101.32 2.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.261 1.024 . . . . 0.0 110.713 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.5 72.89 1.91 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.304 1.041 . . . . 0.0 110.985 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -62.7 70.89 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.286 1.434 . . . . 0.0 112.366 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 O-C-N 121.115 -0.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -79.79 -178.96 6.67 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 120.081 -1.637 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.44 76.66 1.04 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.565 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -24.13 61.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.969 0.508 . . . . 0.0 110.387 176.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.31 -52.01 4.65 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.74 -20.69 58.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.72 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 p -163.67 -19.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 38.73 55.4 1.96 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -77.56 154.77 32.05 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -72.61 79.01 1.08 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.24 1.416 . . . . 0.0 113.738 -176.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' C ' ' H ' ' A' ' 12' ' ' GLU . 71.6 m-85 -93.36 -41.94 9.57 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.124 0.57 . . . . 0.0 110.515 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.274 18.2 m 61.87 -23.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 1 C-N-CA 132.22 4.208 . . . . 0.0 114.441 -179.247 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 10' ' ' PHE . 2.7 tm-20 -93.09 112.41 24.36 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 127.611 2.364 . . . . 0.0 108.64 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -45.47 -55.36 6.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.718 1.207 . . . . 0.0 112.881 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.08 -51.93 48.47 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.105 0.411 . . . . 0.0 110.984 -177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -40.56 85.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.509 0.724 . . . . 0.0 110.41 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.32 -49.81 75.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 118.761 0.71 . . . . 0.0 109.819 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -47.85 84.35 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -54.78 -44.83 74.05 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.198 0.599 . . . . 0.0 109.62 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -58.13 -28.28 64.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.454 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -52.12 -28.23 17.05 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 120.418 1.463 . . . . 0.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -32.59 1.54 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.021 0.929 . . . . 0.0 113.228 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -63.17 -34.33 66.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 120.013 1.279 . . . . 0.0 111.889 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -101.57 -51.92 3.34 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 123.919 0.888 . . . . 0.0 110.606 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm 91.03 112.69 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 131.581 3.952 . . . . 0.0 107.654 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -71.33 55.21 0.22 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.566 1.146 . . . . 0.0 113.174 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.945 -1.097 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -54.37 117.72 3.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.739 1.215 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -82.78 121.3 26.72 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.09 108.73 3.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.58 -34.64 5.17 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-N 118.833 0.742 . . . . 0.0 113.508 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.2 mt -79.98 -19.85 46.88 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.0 p -159.45 21.38 0.18 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.159 1.8 . . . . 0.0 114.432 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.26 30.8 mt-10 35.34 23.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 131.139 3.776 . . . . 0.0 119.036 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -68.08 141.01 56.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -94.21 120.2 34.12 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.806 1.242 . . . . 0.0 109.05 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -109.91 138.89 45.65 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 124.692 1.197 . . . . 0.0 112.496 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 m -47.03 -45.23 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.459 1.504 . . . . 0.0 113.089 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.74 162.23 41.11 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.976 0.417 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -32.97 45.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.842 0.857 . . . . 0.0 111.835 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -47.77 84.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.533 0.733 . . . . 0.0 109.759 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.0 92.88 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -55.63 32.63 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.3 m -50.74 -49.72 57.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.239 1.015 . . . . 0.0 109.635 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -57.93 -47.59 82.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -58.22 -44.61 88.29 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.583 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -50.46 -23.14 2.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -49.3 -29.49 6.06 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.204 1.366 . . . . 0.0 110.376 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 p -57.43 -38.26 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 128.249 2.619 . . . . 0.0 113.958 177.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -109.6 -44.74 3.8 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.792 1.237 . . . . 0.0 110.134 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER 44.41 57.57 4.3 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 129.917 3.287 . . . . 0.0 112.917 -177.04 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -146.35 165.51 29.09 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.588 1.555 . . . . 0.0 106.889 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 118.557 0.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -84.24 152.79 23.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -132.62 136.85 46.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.1 110.21 11.57 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.02 -36.3 2.62 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 123.699 0.666 . . . . 0.0 114.203 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -79.84 -19.95 47.17 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 p -151.52 10.56 0.57 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.845 1.657 . . . . 0.0 115.0 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 45.98 19.05 0.06 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 128.309 2.643 . . . . 0.0 116.602 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -66.65 143.38 57.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -89.34 142.65 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.339 0.656 . . . . 0.0 111.083 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -134.31 137.51 44.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.502 . . . . 0.0 109.878 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -48.78 63.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.314 1.046 . . . . 0.0 112.355 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.57 171.58 16.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.845 0.831 . . . . 0.0 112.954 -178.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -47.77 -41.42 23.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.318 1.847 . . . . 0.0 113.546 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -47.98 82.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.771 0.714 . . . . 0.0 110.103 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.85 99.64 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -50.44 73.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.9 m -55.9 -52.62 63.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -54.45 -41.56 69.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.352 0.661 . . . . 0.0 110.334 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -58.76 -27.5 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.675 -0.679 . . . . 0.0 111.561 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -63.08 0.69 0.55 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.942 1.246 . . . . 0.0 113.01 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -32.93 64.3 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.45 146.01 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 73.2 -58.64 0.59 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.531 1.932 . . . . 0.0 110.662 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 tttm 61.32 53.24 3.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 126.013 1.725 . . . . 0.0 110.858 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -119.69 -45.82 2.49 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.237 1.015 . . . . 0.0 110.713 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 121.524 -0.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -74.44 101.97 4.3 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -79.89 128.86 33.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 t -56.71 -28.6 61.25 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.77 -54.3 4.4 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.96 -28.34 65.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.088 0.555 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 p -152.44 30.54 0.53 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.367 0.531 . . . . 0.0 110.555 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.256 23.1 mt-10 21.76 19.57 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 2 C-N-CA 132.415 4.286 . . . . 0.0 121.848 -179.92 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -59.2 134.12 56.71 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -98.29 111.26 23.66 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.586 1.155 . . . . 0.0 109.86 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -102.39 139.11 38.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.562 1.145 . . . . 0.0 109.688 -178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.29 -42.13 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -115.54 147.83 40.23 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.616 0.766 . . . . 0.0 112.181 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.63 -31.48 70.67 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.881 0.872 . . . . 0.0 110.662 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -49.34 77.94 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.52 92.31 Favored 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.32 -52.12 62.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -56.76 -47.65 79.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.646 0.379 . . . . 0.0 110.683 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.37 -25.09 65.6 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.583 0.353 . . . . 0.0 110.593 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.409 ' CE1' HG13 ' A' ' 22' ' ' VAL . 53.4 t60 -81.34 -52.19 7.56 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.875 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -45.74 -33.22 2.89 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -44.55 -29.99 0.82 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.108 0.867 . . . . 0.0 111.175 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.409 HG13 ' CE1' ' A' ' 19' ' ' HIS . 9.2 p -53.19 -42.7 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 127.548 2.339 . . . . 0.0 113.319 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -110.52 -29.94 7.85 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.584 1.154 . . . . 0.0 111.895 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.61 65.68 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 126.953 2.101 . . . . 0.0 112.293 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 56.97 46.44 19.47 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.534 1.534 . . . . 0.0 109.898 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.168 0 O-C-N 121.733 -0.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -70.24 119.6 14.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -102.83 137.46 41.01 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.6 t -68.07 108.41 3.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.98 -33.72 3.77 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-N 118.888 0.767 . . . . 0.0 113.727 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.24 -21.84 45.64 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.67 18.79 0.46 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.994 1.725 . . . . 0.0 114.475 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 36.76 34.21 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.455 3.502 . . . . 0.0 118.483 178.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -81.46 140.31 34.69 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.049 -2.574 . . . . 0.0 104.049 173.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -84.71 136.4 33.74 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 124.047 0.939 . . . . 0.0 110.872 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.2 m-85 -121.71 -34.48 3.39 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER 72.58 -36.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 128.128 2.571 . . . . 0.0 112.704 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 10' ' ' PHE . 85.8 tt0 -102.53 122.56 44.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 126.966 2.106 . . . . 0.0 109.625 -179.441 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -56.57 -39.21 73.09 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.695 0.398 . . . . 0.0 110.926 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.491 1.116 . . . . 0.0 110.535 178.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.54 -42.09 62.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.95 -48.42 75.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.772 0.829 . . . . 0.0 108.801 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 m -56.69 -55.78 29.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.368 1.067 . . . . 0.0 108.971 178.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -52.52 -44.74 65.94 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 78.7 t60 -60.6 -29.13 69.01 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.667 -178.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -59.71 -19.86 52.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 121.113 1.778 . . . . 0.0 112.443 177.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -52.5 -27.84 18.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.607 1.549 . . . . 0.0 110.708 177.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.6 -28.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 C-N-CA 126.929 2.091 . . . . 0.0 112.088 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -123.25 -55.3 1.77 Allowed 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.406 1.083 . . . . 0.0 111.434 -176.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 39.55 34.74 0.16 Allowed 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 130.766 3.626 . . . . 0.0 114.597 -178.118 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -98.57 -45.46 6.08 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.605 1.562 . . . . 0.0 109.638 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 121.784 -0.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -143.55 126.41 16.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -135.83 145.59 46.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 t -86.66 106.95 17.96 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 118.815 0.734 . . . . 0.0 110.514 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.57 7.47 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 118.096 0.407 . . . . 0.0 113.669 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.77 -20.3 50.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.109 -0.948 . . . . 0.0 113.448 -178.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.4 p -152.99 20.86 0.58 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.442 1.474 . . . . 0.0 114.445 -178.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.292 10.7 pt-20 44.61 2.27 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 130.363 3.465 . . . . 0.0 119.6 177.478 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -56.4 144.5 30.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 174.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 m -96.46 134.79 39.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.932 1.293 . . . . 0.0 108.751 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -126.31 -24.94 3.58 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.921 0.889 . . . . 0.0 113.146 -176.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.348 1.6 p 46.76 25.75 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 117.022 2.231 . . . . 0.0 117.022 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -157.94 136.48 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 126.311 1.845 . . . . 0.0 108.121 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -66.85 -21.82 66.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -66.76 -64.06 0.93 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.77 -42.7 62.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.613 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -54.08 49.07 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 118.588 0.631 . . . . 0.0 110.614 177.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -53.92 -46.2 71.41 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.794 -0.566 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -57.8 -48.8 78.68 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -58.39 -36.23 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.06 -11.66 3.84 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 121.378 1.899 . . . . 0.0 114.145 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -54.63 -29.48 52.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 120.87 1.668 . . . . 0.0 108.755 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.75 -36.43 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 127.144 2.178 . . . . 0.0 111.083 178.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.69 66.79 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -176.338 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -77.05 60.1 1.79 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.074 0.95 . . . . 0.0 109.96 177.575 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -75.96 68.18 2.42 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.234 0.614 . . . . 0.0 110.351 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 O-C-N 121.964 -0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -76.83 150.58 36.09 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -132.26 138.18 47.79 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.04 113.65 22.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.21 -10.43 2.68 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.3 mt -113.01 9.13 18.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.297 1.439 . . . . 0.0 112.208 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -148.98 -36.11 0.18 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.497 1.044 . . . . 0.0 112.522 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 72.44 16.07 5.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 127.965 2.506 . . . . 0.0 112.431 -177.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.1 143.04 52.53 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 174.13 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -89.88 131.65 35.69 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.389 0.676 . . . . 0.0 109.178 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -126.43 123.89 38.9 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.301 1.44 . . . . 0.0 109.245 -178.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.5 -39.3 85.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -115.8 148.68 39.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -63.87 -33.65 76.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 175.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -46.16 88.59 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.926 0.89 . . . . 0.0 109.247 176.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.45 -51.82 67.9 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.296 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -52.9 -48.75 66.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.421 0.689 . . . . 0.0 109.524 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.4 tpt85 -61.84 -39.05 90.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.931 0.493 . . . . 0.0 110.292 177.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -63.14 -29.31 70.69 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.509 -179.803 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -61.7 7.24 0.05 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 177.217 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -37.7 81.36 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 170.203 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.91 150.37 4.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 174.777 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 72.24 -59.41 0.56 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.771 . . . . 0.0 110.261 -176.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 tttm 58.36 58.73 3.29 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 110.673 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -72.02 68.99 0.71 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.204 1.002 . . . . 0.0 110.374 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 O-C-N 121.629 -0.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -119.21 148.22 43.36 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.167 1.387 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -134.13 148.3 50.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -27.4 44.16 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.428 0.691 . . . . 0.0 112.769 -177.264 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.64 -50.75 3.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 121.099 -1.001 . . . . 0.0 112.114 178.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.65 -24.25 65.43 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.721 0.761 . . . . 0.0 109.337 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.1 p -154.86 110.77 3.17 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 101.04 -3.689 . . . . 0.0 101.04 176.359 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.82 55.69 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -172.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -82.59 144.52 30.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 173.273 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.2 m -101.55 135.72 42.6 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.507 0.723 . . . . 0.0 109.809 -179.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CE2' HD21 ' A' ' 16' ' ' LEU . 73.6 m-85 -129.37 139.06 51.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.597 1.559 . . . . 0.0 108.261 -178.343 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -43.44 51.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.851 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.91 154.4 37.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.837 0.855 . . . . 0.0 111.63 178.365 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -58.36 -31.8 67.95 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.121 1.368 . . . . 0.0 113.685 -179.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -58.31 -57.78 11.37 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.794 0.725 . . . . 0.0 111.743 -176.419 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.31 -46.07 80.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.678 0.791 . . . . 0.0 109.926 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.6 tm? -61.3 -50.22 73.85 Favored 'General case' 0 N--CA 1.437 -1.076 0 O-C-N 122.271 -0.268 . . . . 0.0 111.679 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -60.34 -43.6 96.28 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 108.868 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -57.52 -41.13 80.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -62.39 -48.72 78.5 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -56.02 -12.2 1.36 Allowed 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -54.26 -28.16 39.81 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.623 1.556 . . . . 0.0 108.125 172.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 p -64.83 -31.91 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 127.825 2.45 . . . . 0.0 113.284 176.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.48 75.41 0.11 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 125.061 1.344 . . . . 0.0 110.981 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 64.48 2.05 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 64.76 -62.82 0.18 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.817 2.047 . . . . 0.0 113.423 179.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 O-C-N 121.662 -0.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -72.67 123.96 24.33 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -112.36 134.29 53.97 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.932 1.293 . . . . 0.0 108.543 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.1 p -78.45 -8.13 58.18 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.08 -48.43 1.72 Allowed Glycine 0 CA--C 1.533 1.165 0 CA-C-N 119.164 0.893 . . . . 0.0 113.775 178.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.88 -35.92 81.97 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.058 0.943 . . . . 0.0 110.722 -177.675 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -145.26 20.65 1.56 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.234 1.014 . . . . 0.0 110.327 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 16.26 46.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 130.643 3.577 . . . . 0.0 118.325 -178.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -70.33 128.82 37.54 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 175.118 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -89.12 120.22 30.32 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.358 0.663 . . . . 0.0 111.849 -175.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -113.63 136.96 52.25 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.333 1.053 . . . . 0.0 110.291 179.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.38 -39.37 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 123.822 0.849 . . . . 0.0 110.95 178.102 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.5 149.03 34.92 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.358 177.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.75 -19.92 62.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.601 176.392 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -63.44 -57.08 11.43 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.97 62.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.293 1.037 . . . . 0.0 109.293 177.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.33 -47.11 86.63 Favored 'General case' 0 N--CA 1.439 -0.984 0 O-C-N 121.545 -0.722 . . . . 0.0 111.584 177.16 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -53.7 -46.87 70.89 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -62.58 -31.91 72.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 176.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.07 -28.08 62.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 119.582 1.083 . . . . 0.0 110.464 -178.08 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -53.65 -22.01 7.98 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 118.164 -0.922 . . . . 0.0 112.612 178.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -48.43 -30.19 4.81 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.144 0.884 . . . . 0.0 112.418 177.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -25.28 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 119.431 1.014 . . . . 0.0 112.534 179.076 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -112.94 -59.1 2.06 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.269 1.028 . . . . 0.0 112.293 -176.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 56.23 21.51 5.37 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 129.298 3.039 . . . . 0.0 112.744 -174.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -77.43 69.04 3.64 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.594 -0.691 . . . . 0.0 109.862 -179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 O-C-N 122.151 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -75.37 144.2 42.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -116.83 133.65 55.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -18.74 64.84 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.58 -52.93 3.92 Favored Glycine 0 CA--C 1.528 0.847 0 O-C-N 121.036 -1.04 . . . . 0.0 112.062 178.118 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.32 -29.35 69.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -157.06 108.53 2.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 175.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.93 53.53 0.35 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -173.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -77.32 135.21 38.37 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -79.19 113.62 17.46 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.296 1.039 . . . . 0.0 112.163 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.32 108.26 16.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.349 1.46 . . . . 0.0 108.241 178.109 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.09 -46.58 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.027 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.19 136.79 32.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.839 1.256 . . . . 0.0 111.395 -177.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -61.0 -39.15 88.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.691 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.52 -40.75 83.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.503 0.721 . . . . 0.0 109.819 176.721 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.47 86.6 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -57.51 -54.05 51.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.88 -50.85 60.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.389 0.676 . . . . 0.0 109.842 179.25 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -57.45 -42.51 82.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.957 0.503 . . . . 0.0 110.241 178.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -60.01 -31.96 70.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.869 -0.52 . . . . 0.0 110.585 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.33 -6.92 1.1 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.313 0.961 . . . . 0.0 113.258 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -52.14 -35.7 49.23 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.516 1.053 . . . . 0.0 109.029 172.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -20.22 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 118.216 0.462 . . . . 0.0 112.083 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.37 110.26 0.38 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.303 1.441 . . . . 0.0 109.588 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -134.4 0.35 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.175 0.99 . . . . 0.0 108.495 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -169.59 177.18 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 127.097 2.159 . . . . 0.0 106.599 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 117.987 0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -129.71 139.55 51.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.918 2.487 . . . . 0.0 106.841 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -133.12 143.72 49.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.6 t -73.22 109.08 6.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.258 0.481 . . . . 0.0 110.738 -178.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.54 -30.68 13.44 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 118.416 0.553 . . . . 0.0 113.263 178.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.68 -17.19 42.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.936 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 p -155.09 17.14 0.42 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 121.186 1.812 . . . . 0.0 115.094 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 44.8 12.46 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 130.0 3.32 . . . . 0.0 118.187 177.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.91 144.01 57.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 174.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 p -87.81 122.44 31.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.941 1.697 . . . . 0.0 110.622 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' C ' ' H ' ' A' ' 12' ' ' GLU . 93.9 m-85 -111.84 -28.67 7.97 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 123.943 0.897 . . . . 0.0 111.873 179.874 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 71.55 -28.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 126.682 1.993 . . . . 0.0 114.287 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' H ' ' C ' ' A' ' 10' ' ' PHE . 7.8 pt-20 -129.57 144.54 51.31 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.066 1.347 . . . . 0.0 111.571 179.249 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -55.6 -39.4 70.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.138 1.375 . . . . 0.0 110.956 179.439 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -59.46 5.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.344 0.657 . . . . 0.0 110.382 -178.559 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.58 80.58 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.23 -57.88 10.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.835 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -57.88 -43.54 86.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.877 -0.514 . . . . 0.0 110.526 -178.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -58.7 -39.19 80.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.165 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CE1' HG13 ' A' ' 22' ' ' VAL . 60.3 t60 -66.26 -44.2 84.31 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.836 -1.078 . . . . 0.0 108.546 177.596 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.01 7.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.11 -31.05 72.1 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 103.911 -2.625 . . . . 0.0 103.911 166.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.402 HG13 ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -74.92 147.92 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.17 2.588 . . . . 0.0 107.4 173.916 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 73.84 -63.66 0.42 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.334 1.854 . . . . 0.0 106.809 -175.242 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tptm 115.86 94.11 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.003 1 C-N-CA 133.323 4.649 . . . . 0.0 110.565 176.076 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 t30 70.51 -57.45 0.58 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.099 1.76 . . . . 0.0 112.516 178.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.217 0 O-C-N 121.845 -0.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -105.14 138.27 41.6 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.013 1.325 . . . . 0.0 108.844 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.41 142.85 34.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.145 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -15.23 57.1 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.849 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.28 -55.27 4.6 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.396 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 mt -69.09 -27.29 65.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 p -157.7 97.28 1.57 Allowed 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 177.027 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.97 61.47 0.42 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -174.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -84.72 133.47 34.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 175.048 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -74.8 90.13 2.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.475 0.71 . . . . 0.0 112.426 -176.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -78.75 124.16 27.91 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -49.26 -36.79 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.442 1.097 . . . . 0.0 113.906 -177.772 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -145.8 158.94 43.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.267 0.556 . . . . 0.0 111.755 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.24 -33.4 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 111.589 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.494 0.717 . . . . 0.0 109.456 177.587 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.46 95.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.0 -59.44 5.26 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 123.419 0.688 . . . . 0.0 109.732 178.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 p -58.62 -42.73 88.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.679 -0.638 . . . . 0.0 109.954 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -56.7 -42.61 79.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CE1' HG13 ' A' ' 22' ' ' VAL . 43.9 t60 -62.77 -43.18 99.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 177.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.51 4.49 0.24 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -60.79 -29.89 69.72 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 167.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.406 HG13 ' CE1' ' A' ' 19' ' ' HIS . 0.4 OUTLIER -76.57 147.0 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 128.992 2.917 . . . . 0.0 107.72 174.878 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 73.15 -61.02 0.52 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.888 1.675 . . . . 0.0 108.502 -176.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? 57.99 38.12 26.77 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 128.109 2.564 . . . . 0.0 110.868 179.742 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -92.97 -54.18 3.84 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 123.795 0.838 . . . . 0.0 109.862 179.033 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.145 0 O-C-N 121.997 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.021 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -78.96 149.69 32.24 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -132.34 149.06 52.43 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.079 0.552 . . . . 0.0 109.764 -178.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -82.16 -30.99 30.71 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 124.013 0.925 . . . . 0.0 112.114 -179.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.5 -49.56 3.64 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.5 mt -70.48 -14.82 62.68 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 117.8 0.8 . . . . 0.0 110.72 179.056 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 p -161.35 125.71 3.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 175.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 58.78 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -91.7 144.21 25.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -96.13 126.37 41.31 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.733 1.213 . . . . 0.0 108.993 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -116.22 127.32 54.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.824 1.25 . . . . 0.0 108.937 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.0 m -66.31 -32.29 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.879 0.471 . . . . 0.0 111.847 -178.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -141.09 147.8 39.12 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.731 0.813 . . . . 0.0 110.035 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -56.25 -33.52 65.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.85 0.86 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -44.78 84.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.803 1.241 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.35 90.42 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.67 -40.89 96.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 O-C-N 122.247 -0.283 . . . . 0.0 110.319 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -52.72 -42.46 64.88 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -73.86 -22.21 59.83 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 175.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -71.96 -30.35 65.2 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 120.676 -1.265 . . . . 0.0 110.284 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.34 6.8 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 178.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -57.88 -37.98 74.93 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 168.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.5 m -89.32 147.4 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 175.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 72.77 -61.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 109.989 -177.021 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 51.29 50.84 18.14 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.959 2.104 . . . . 0.0 111.063 -179.14 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t30 68.71 -57.55 0.5 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.436 1.894 . . . . 0.0 112.486 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 O-C-N 121.696 -0.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -68.07 134.82 51.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.73 133.89 36.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.4 -52.44 37.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.26 1.424 . . . . 0.0 114.822 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.24 -51.26 0.74 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -178.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.97 -17.94 60.94 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.118 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -156.19 -157.16 0.69 Allowed 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -114.27 -110.02 0.36 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.367 0.667 . . . . 0.0 110.697 -177.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 62.11 110.85 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.875 2.07 . . . . 0.0 110.154 -178.855 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 m -75.03 87.41 2.36 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.127 -0.983 . . . . 0.0 111.481 -178.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 86.9 m-85 -76.77 112.32 13.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.193 0.597 . . . . 0.0 110.127 179.622 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -47.03 -42.6 6.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.096 1.358 . . . . 0.0 113.53 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.94 156.4 36.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 122.282 1.039 . . . . 0.0 112.364 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.35 -26.47 68.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.549 176.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 p -65.08 -53.23 48.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.68 83.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 110.149 177.751 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 -53.54 57.23 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.09 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -56.06 -46.4 78.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.802 -0.561 . . . . 0.0 110.013 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -57.89 -42.24 84.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 59.6 t60 -60.04 -34.73 73.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.759 -0.588 . . . . 0.0 110.129 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -62.42 2.12 0.29 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 120.003 1.274 . . . . 0.0 114.032 175.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.48 -29.26 68.94 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 169.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.1 m -95.36 149.58 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 174.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.08 -63.9 0.26 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 128.014 2.526 . . . . 0.0 112.202 -178.111 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -68.45 -17.37 64.18 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -175.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -145.54 174.58 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.085 2.554 . . . . 0.0 106.399 179.411 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 121.903 -0.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -94.33 155.23 17.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 147.45 33.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.587 0.355 . . . . 0.0 110.832 -178.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 t -81.86 110.07 16.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.022 0.929 . . . . 0.0 111.596 -179.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.09 -23.4 11.86 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-N 118.265 0.484 . . . . 0.0 114.056 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.7 mt -92.31 -16.98 25.35 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.289 1.035 . . . . 0.0 113.606 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 p -158.46 17.69 0.21 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.643 1.565 . . . . 0.0 115.208 -177.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 35.48 36.58 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.302 3.041 . . . . 0.0 117.036 177.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -75.16 141.74 43.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 173.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -86.19 132.2 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.337 1.055 . . . . 0.0 111.261 -178.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.425 ' CE2' HD21 ' A' ' 16' ' ' LEU . 92.7 m-85 -127.77 125.19 39.42 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 124.457 1.103 . . . . 0.0 109.634 178.758 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.89 -37.35 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 124.771 1.228 . . . . 0.0 112.845 -179.578 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -144.51 158.65 43.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.09 0.556 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -53.46 22.56 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -176.772 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -47.21 56.32 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.248 0.931 . . . . 0.0 112.822 -175.5 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.94 -46.03 78.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.145 0.578 . . . . 0.0 110.009 178.36 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 10' ' ' PHE . 1.1 tm? -65.21 -48.67 72.57 Favored 'General case' 0 N--CA 1.438 -1.035 0 O-C-N 121.898 -0.501 . . . . 0.0 110.864 179.77 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -54.4 -46.95 73.23 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.491 -0.756 . . . . 0.0 109.362 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -58.79 -40.62 84.55 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.163 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -59.8 -34.68 73.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.626 -179.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.64 0.82 0.45 Allowed 'General case' 0 C--N 1.342 0.277 0 CA-C-N 120.2 1.363 . . . . 0.0 114.644 176.645 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -66.23 -30.76 71.27 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 m -81.39 153.51 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 172.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 74.79 -65.42 0.34 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.738 1.615 . . . . 0.0 108.539 -175.408 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 pttp 35.9 47.91 0.46 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.172 2.589 . . . . 0.0 112.409 -177.514 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -164.58 -179.63 6.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -178.803 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 118.756 0.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -81.61 134.6 35.51 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 126.033 1.733 . . . . 0.0 108.08 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -107.38 142.21 37.55 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.317 1.047 . . . . 0.0 109.578 -178.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -19.16 34.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.748 0.819 . . . . 0.0 112.645 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.34 -53.93 4.5 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.132 -0.98 . . . . 0.0 111.177 179.177 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.7 -16.99 62.84 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.749 0.774 . . . . 0.0 110.309 178.498 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -164.3 121.36 1.66 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 176.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -77.21 58.93 1.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.493 -0.754 . . . . 0.0 112.588 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -89.5 136.29 33.12 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 174.27 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -83.38 120.31 25.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.617 0.767 . . . . 0.0 111.387 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -111.9 142.52 44.19 Favored 'General case' 0 C--O 1.228 -0.062 0 C-N-CA 124.431 1.093 . . . . 0.0 109.74 178.67 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.39 -34.57 69.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -153.95 167.67 28.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.483 0.659 . . . . 0.0 112.514 -178.761 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -52.9 -40.41 63.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.351 1.46 . . . . 0.0 110.48 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -56.82 -54.77 42.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.707 -0.621 . . . . 0.0 110.052 178.049 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.28 88.3 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -52.27 65.15 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.659 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -58.27 -45.18 88.35 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.851 -0.531 . . . . 0.0 110.3 -179.464 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -58.3 -44.24 88.45 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -62.24 -36.41 81.94 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.366 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -63.13 0.88 0.53 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.725 2.057 . . . . 0.0 114.654 174.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -59.85 -32.96 71.18 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 168.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.6 t -77.74 142.86 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 C-N-CA 128.482 2.713 . . . . 0.0 106.339 175.447 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 -70.74 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 127.229 2.212 . . . . 0.0 113.572 178.099 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -80.17 48.03 0.96 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.058 0.943 . . . . 0.0 111.708 -174.329 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 t30 169.65 -63.77 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 127.341 2.256 . . . . 0.0 107.064 -178.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.099 0 O-C-N 121.919 -0.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.034 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -97.13 116.91 30.19 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 126.632 1.973 . . . . 0.0 108.641 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -101.29 130.37 47.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.668 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -12.58 61.6 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.56 -55.39 4.42 Favored Glycine 0 CA--C 1.526 0.781 0 O-C-N 120.91 -1.119 . . . . 0.0 111.706 178.112 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.24 -28.81 67.55 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.23 108.12 2.97 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 103.312 -2.848 . . . . 0.0 103.312 175.673 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.37 56.41 1.07 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -174.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -77.15 123.9 27.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.633 -2.729 . . . . 0.0 103.633 173.837 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -76.25 90.27 3.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.106 0.562 . . . . 0.0 112.332 -176.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -78.42 132.71 37.43 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.5 t -60.84 -40.59 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 C-N-CA 124.458 1.103 . . . . 0.0 112.085 -178.204 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -126.74 157.45 39.09 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.41 0.684 . . . . 0.0 112.448 -177.682 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -24.07 67.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.106 176.578 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -64.75 -57.12 9.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 178.858 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.35 -43.95 71.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.701 177.361 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -54.17 50.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.063 0.545 . . . . 0.0 109.734 178.289 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -56.5 -45.0 81.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.754 -0.591 . . . . 0.0 109.995 -179.573 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -57.84 -45.95 85.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.065 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.62 -35.14 73.77 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.521 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -64.12 1.76 0.66 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 121.867 2.121 . . . . 0.0 114.909 174.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.5 mtp85 -60.89 -30.58 70.25 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 168.02 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.25 17.2 t -79.55 144.54 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 C-N-CA 127.857 2.463 . . . . 0.0 106.606 176.141 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.71 -46.65 0.39 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 176.002 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -68.8 63.13 0.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.032 1.333 . . . . 0.0 113.843 -171.399 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.32 69.0 0.78 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.322 1.449 . . . . 0.0 109.812 178.892 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 O-C-N 121.615 -0.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -83.27 171.75 13.27 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.253 1.821 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -140.04 154.22 47.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.835 1.654 . . . . 0.0 106.969 177.775 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.59 -33.07 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.01 -49.35 3.99 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -75.02 1.45 12.96 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 117.494 0.647 . . . . 0.0 110.365 176.575 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.1 p -179.35 153.37 0.58 Allowed 'General case' 0 N--CA 1.44 -0.972 1 C-N-CA 131.969 4.108 . . . . 0.0 101.71 177.228 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -102.72 40.4 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.573 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -72.68 141.82 48.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 172.825 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 t -95.85 142.23 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.014 0.526 . . . . 0.0 110.03 -178.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 53.6 m-85 -142.61 132.0 23.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.981 0.512 . . . . 0.0 111.921 -177.828 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -84.42 -42.63 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.394 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.47 114.7 25.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.057 1.343 . . . . 0.0 110.608 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.99 73.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.353 0.261 . . . . 0.0 110.482 178.186 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.2 -48.82 79.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.955 0.902 . . . . 0.0 110.404 178.902 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.14 84.86 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' CD1' ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -61.68 -44.42 96.97 Favored 'General case' 0 N--CA 1.437 -1.116 0 O-C-N 121.947 -0.471 . . . . 0.0 111.604 178.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -53.92 -47.38 71.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.587 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -65.32 -32.0 73.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.477 176.679 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -67.85 -28.25 67.38 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.179 0.9 . . . . 0.0 110.162 -176.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -51.82 -25.35 7.57 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.132 178.015 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -43.15 -34.63 1.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.206 1.002 . . . . 0.0 112.836 178.097 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.85 -30.49 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.203 0.911 . . . . 0.0 112.493 -179.542 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -105.92 -57.12 2.09 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.681 1.193 . . . . 0.0 110.758 -177.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 tptt 42.87 46.39 4.57 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 129.757 3.223 . . . . 0.0 112.294 -177.426 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.1 138.05 58.27 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.212 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 122.005 -0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -69.47 138.26 53.28 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.865 2.066 . . . . 0.0 108.601 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 146.58 35.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.653 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.2 -51.12 5.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.871 0.868 . . . . 0.0 111.4 -178.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.34 -50.07 0.81 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.45 -20.23 60.76 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.851 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 p -161.58 -157.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 102.621 -3.103 . . . . 0.0 102.621 175.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -165.78 111.61 0.88 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.967 1.307 . . . . 0.0 108.612 -178.763 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -136.58 146.81 46.54 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.678 1.991 . . . . 0.0 105.862 178.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -71.94 64.23 0.5 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -173.801 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' CE2' ' CG ' ' A' ' 19' ' ' HIS . 42.7 m-85 -78.77 83.36 4.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.284 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 p -41.06 -36.92 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 126.647 1.979 . . . . 0.0 114.457 -177.271 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -118.62 138.04 52.86 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.028 0.931 . . . . 0.0 110.571 179.558 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -48.61 -39.57 24.46 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.284 1.034 . . . . 0.0 112.221 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -55.15 -44.8 75.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.703 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.63 78.78 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tt -74.52 -40.83 61.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 O-C-N 121.461 -0.774 . . . . 0.0 110.453 -179.642 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -51.82 -45.33 63.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.658 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -65.87 -38.92 90.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.587 175.279 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CG ' ' CE2' ' A' ' 10' ' ' PHE . 32.7 t60 -59.34 -30.63 68.51 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 120.838 1.654 . . . . 0.0 112.092 -178.798 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -55.19 -11.81 0.81 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.247 0.93 . . . . 0.0 113.04 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -47.27 -39.23 13.95 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.591 1.087 . . . . 0.0 109.759 173.024 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.69 -23.91 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.088 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.47 89.55 0.84 Allowed 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.409 1.083 . . . . 0.0 110.776 -179.206 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -77.95 43.22 0.42 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -81.89 62.38 5.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 121.326 -0.859 . . . . 0.0 109.501 -177.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.13 125.32 26.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -89.69 139.32 30.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.149 0.58 . . . . 0.0 111.153 -178.662 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.24 -27.5 60.8 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.242 0.617 . . . . 0.0 112.113 178.483 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.26 -55.01 4.81 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -178.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.29 -34.22 72.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.506 0.653 . . . . 0.0 109.999 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.0 p -151.13 80.41 1.31 Allowed 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 178.125 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -48.75 63.17 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.114 3.366 . . . . 0.0 117.694 -174.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -95.62 142.93 27.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 173.529 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -88.17 112.56 22.87 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.268 1.427 . . . . 0.0 111.123 -177.874 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 86.4 m-85 -99.32 140.23 33.79 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.902 0.881 . . . . 0.0 112.366 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.2 55.44 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 129.93 3.292 . . . . 0.0 109.414 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 113.58 150.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 131.455 3.902 . . . . 0.0 113.222 176.687 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -53.83 -32.02 51.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.19 173.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.55 -45.92 63.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.696 1.598 . . . . 0.0 111.093 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.71 59.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' A' ' 10' ' ' PHE . 3.6 tp -59.97 -35.94 76.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.514 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -50.86 -41.01 57.57 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.611 -0.68 . . . . 0.0 109.255 177.865 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -76.43 -30.58 57.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.714 0.805 . . . . 0.0 109.824 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -66.35 -39.63 89.31 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 119.903 1.229 . . . . 0.0 109.552 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -53.24 -25.43 14.2 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 120.136 1.335 . . . . 0.0 112.842 179.12 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -47.25 -32.42 4.55 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.538 1.063 . . . . 0.0 111.058 176.662 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.79 -33.77 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 127.326 2.25 . . . . 0.0 111.905 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.86 -58.6 2.12 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.343 1.457 . . . . 0.0 109.328 -177.637 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 tttt 66.62 -55.26 0.42 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 131.508 3.923 . . . . 0.0 115.098 179.437 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 64.46 -61.07 0.2 Allowed 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 128.894 2.878 . . . . 0.0 112.342 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 O-C-N 121.716 -0.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.001 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -85.19 125.2 32.65 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 123.61 24.22 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.05 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -18.13 29.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.283 1.033 . . . . 0.0 109.111 178.711 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.99 -54.87 1.34 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 106.355 -2.698 . . . . 0.0 106.355 -179.088 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mp -76.1 -30.39 58.25 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.37 -144.02 0.14 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 176.634 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -174.41 135.36 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.923 2.089 . . . . 0.0 107.26 -175.373 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 mpt_? -150.89 146.19 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.481 1.513 . . . . 0.0 109.709 176.615 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -75.69 56.52 0.92 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.683 1.193 . . . . 0.0 113.592 -177.761 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' C ' ' H ' ' A' ' 12' ' ' GLU . 85.5 m-85 -75.65 -39.41 57.74 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.956 -0.465 . . . . 0.0 110.587 178.229 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.257 0.3 OUTLIER 70.62 -30.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.824 2.85 . . . . 0.0 112.651 -177.711 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -85.64 105.96 16.59 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.91 1.684 . . . . 0.0 108.569 176.518 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -44.23 -43.85 7.52 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.333 1.453 . . . . 0.0 112.297 177.554 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -62.66 -48.76 77.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.952 0.501 . . . . 0.0 110.544 -179.241 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.32 78.33 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -55.54 33.51 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.652 178.054 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -54.13 -40.97 67.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 109.044 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.93 -29.6 70.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -62.89 -44.32 96.4 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 119.442 1.019 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -49.58 -19.25 0.55 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -48.42 -37.97 18.48 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.852 1.206 . . . . 0.0 108.289 173.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.63 -34.42 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 128.064 2.546 . . . . 0.0 113.435 177.863 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.9 65.18 0.65 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.334 1.454 . . . . 0.0 108.552 179.526 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -74.88 65.75 1.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.543 1.137 . . . . 0.0 110.002 -179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 67.82 -61.52 0.37 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.722 2.009 . . . . 0.0 112.376 -179.792 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 121.719 -0.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -85.11 124.87 32.28 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.55 -22.67 22.75 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.896 1.678 . . . . 0.0 114.489 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.92 -53.71 4.62 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.5 mt -70.15 -36.62 74.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.392 0.596 . . . . 0.0 109.898 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.13 8.33 2.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 38.59 25.73 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.52 131.17 45.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 174.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -79.37 92.92 5.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.659 1.184 . . . . 0.0 112.806 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -83.43 112.78 20.25 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -47.68 -36.48 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 124.684 1.194 . . . . 0.0 114.01 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.33 143.48 50.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.164 0.986 . . . . 0.0 111.399 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.8 -28.86 69.76 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.103 0.961 . . . . 0.0 111.531 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -52.22 66.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.03 92.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.85 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.22 -50.78 72.36 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 118.645 0.657 . . . . 0.0 109.463 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -55.68 -52.9 62.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -44.97 78.44 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.632 0.773 . . . . 0.0 110.234 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -56.59 -29.79 62.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.974 0.91 . . . . 0.0 111.049 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -56.65 -18.49 12.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 120.739 1.608 . . . . 0.0 113.859 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -29.31 15.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 121.116 1.78 . . . . 0.0 110.647 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.52 -24.98 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 127.675 2.39 . . . . 0.0 112.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -133.16 -48.57 0.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.727 0.811 . . . . 0.0 112.231 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt . . . . . 0 N--CA 1.447 -0.602 0 C-N-CA 129.233 3.013 . . . . 0.0 112.635 -177.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -84.73 120.66 26.66 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 t -65.58 113.18 4.02 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.71 -34.65 3.9 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.927 0.785 . . . . 0.0 114.083 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.1 mt -82.01 -18.65 42.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.7 p -159.41 18.54 0.17 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.096 1.771 . . . . 0.0 114.945 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 33.46 34.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 130.454 3.502 . . . . 0.0 118.269 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -75.25 136.48 40.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 104.592 -2.373 . . . . 0.0 104.592 173.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -81.74 98.73 8.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.213 1.405 . . . . 0.0 112.445 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 90.5 m-85 -85.81 141.02 29.95 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.352 0.661 . . . . 0.0 111.595 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 p -53.72 -40.83 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 C-N-CA 126.859 2.064 . . . . 0.0 112.989 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.08 163.27 40.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.802 0.728 . . . . 0.0 111.492 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -53.03 -32.48 47.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.247 1.419 . . . . 0.0 113.17 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 p -63.37 -58.71 6.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.39 69.6 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.664 0.786 . . . . 0.0 109.839 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.62 -56.26 24.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.27 0.628 . . . . 0.0 109.746 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -55.04 -50.46 69.03 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.047 0.539 . . . . 0.0 109.892 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -58.59 -43.41 89.48 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.951 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.0 t60 -58.29 -28.26 64.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.082 -176.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -51.52 -26.49 8.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.184 0.902 . . . . 0.0 111.961 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -43.28 -34.88 1.29 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.252 1.021 . . . . 0.0 113.531 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -62.91 -33.07 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 119.136 0.88 . . . . 0.0 111.66 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -100.1 -53.74 3.06 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.383 1.073 . . . . 0.0 110.395 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? . . . . . 0 N--CA 1.447 -0.59 0 C-N-CA 129.172 2.989 . . . . 0.0 111.598 -175.312 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -93.3 127.05 38.73 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -62.68 114.34 3.54 Favored 'General case' 0 C--O 1.224 -0.274 0 O-C-N 121.774 -0.579 . . . . 0.0 110.254 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.95 5.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 118.912 0.778 . . . . 0.0 113.656 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.16 -20.82 47.53 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.6 p -156.82 19.08 0.32 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.417 1.917 . . . . 0.0 114.917 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 31.04 41.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 130.013 3.325 . . . . 0.0 117.546 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -82.14 139.46 34.35 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 171.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -84.23 125.0 31.81 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 112.394 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.5 m-85 -121.43 121.84 38.45 Favored 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 125.117 1.367 . . . . 0.0 107.663 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.6 -37.97 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -115.81 148.08 40.28 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.946 0.879 . . . . 0.0 112.615 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.03 -36.37 72.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.033 1.333 . . . . 0.0 110.199 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.28 66.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.689 0.795 . . . . 0.0 108.95 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.59 96.5 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.83 -53.85 53.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 118.466 0.576 . . . . 0.0 109.622 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -57.16 -50.2 73.57 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.463 0.705 . . . . 0.0 109.942 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -62.04 -36.52 81.85 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.274 -0.266 . . . . 0.0 111.113 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 32.0 t60 -61.5 -27.93 68.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.647 -0.658 . . . . 0.0 111.261 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -51.65 -25.94 8.1 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.125 0.875 . . . . 0.0 112.284 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -47.77 -30.18 3.73 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.89 0.876 . . . . 0.0 113.044 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.02 -34.37 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 119.992 1.269 . . . . 0.0 111.149 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -95.29 -55.2 3.14 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 124.085 0.954 . . . . 0.0 109.551 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.6 0 C-N-CA 129.533 3.133 . . . . 0.0 114.27 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -101.52 141.33 34.54 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.858 0.863 . . . . 0.0 110.262 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.5 t -67.39 116.27 7.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.809 0.844 . . . . 0.0 109.603 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.74 -35.48 38.67 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 117.87 0.305 . . . . 0.0 112.372 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -79.29 -12.4 59.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.581 0.752 . . . . 0.0 112.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.324 25.5 p -155.01 -99.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.733 1.151 . . . . 0.0 111.407 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -164.52 -125.25 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.727 1.603 . . . . 0.0 108.888 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 60.76 119.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.954 2.102 . . . . 0.0 112.562 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p -78.56 97.38 5.74 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 120.66 -1.275 . . . . 0.0 109.524 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 82.3 m-85 -82.3 -39.43 22.92 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 122.877 0.471 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 70.6 -32.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 113.729 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.34 123.22 43.44 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.463 1.505 . . . . 0.0 108.74 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -57.75 -31.78 66.82 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.576 0.351 . . . . 0.0 111.048 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 p -64.59 -53.48 47.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.79 87.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.112 0.565 . . . . 0.0 109.682 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.68 -54.97 39.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.087 0.955 . . . . 0.0 109.574 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -56.29 -46.6 79.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.53 0.732 . . . . 0.0 110.563 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -64.75 -36.54 84.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.063 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.2 t60 -62.74 -29.68 70.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.427 1.012 . . . . 0.0 110.903 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -51.18 -26.54 7.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.734 -1.127 . . . . 0.0 113.878 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -46.33 -31.48 2.6 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.68 1.127 . . . . 0.0 113.635 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -60.18 -33.92 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.198 0.908 . . . . 0.0 111.427 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -101.22 -50.46 3.77 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.704 1.202 . . . . 0.0 110.256 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 129.581 3.152 . . . . 0.0 113.794 -176.918 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -93.96 133.09 37.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.265 1.026 . . . . 0.0 108.953 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.99 -49.07 73.93 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.87 -49.9 1.39 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.83 -18.55 62.07 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 p -157.8 -162.43 1.17 Allowed 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.79 102.33 2.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.622 0.725 . . . . 0.0 110.668 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -139.18 128.0 23.46 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -79.48 93.96 5.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.905 0.882 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 76.9 m-85 -80.2 135.64 36.31 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.961 0.41 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.44 -36.96 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 125.459 1.503 . . . . 0.0 114.017 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.85 164.14 36.15 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.012 0.824 . . . . 0.0 112.321 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -51.42 -40.51 59.49 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.772 1.229 . . . . 0.0 111.21 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -51.97 67.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.052 0.941 . . . . 0.0 110.101 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.43 93.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.294 0.637 . . . . 0.0 110.176 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.57 -52.46 63.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.381 1.072 . . . . 0.0 109.856 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 t -57.09 -53.02 62.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.326 1.051 . . . . 0.0 108.282 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -43.27 74.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.041 0.536 . . . . 0.0 109.57 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 37.4 t60 -58.79 -29.27 66.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.365 0.529 . . . . 0.0 111.596 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -53.24 -25.0 12.67 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.452 1.023 . . . . 0.0 111.961 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -44.72 -33.86 2.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.025 0.93 . . . . 0.0 112.782 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -65.53 -32.79 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 119.231 0.923 . . . . 0.0 112.327 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -100.93 -53.08 3.14 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.081 0.953 . . . . 0.0 110.759 -176.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? . . . . . 0 N--CA 1.445 -0.683 0 C-N-CA 130.141 3.376 . . . . 0.0 111.742 -176.643 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -147.61 150.39 34.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -98.6 124.09 43.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.669 1.588 . . . . 0.0 109.371 -179.398 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.52 55.64 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.267 0.461 . . . . 0.0 113.175 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -75.39 -19.36 59.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.25 0.62 . . . . 0.0 112.294 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.4 p -165.64 105.04 0.71 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.92 58.01 0.07 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -82.53 132.66 35.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 p -81.92 101.89 10.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.306 1.042 . . . . 0.0 111.172 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.709 ' CD2' HD23 ' A' ' 16' ' ' LEU . 88.7 m-85 -97.0 126.01 41.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.41 1.084 . . . . 0.0 109.576 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.44 -27.6 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.31 151.38 48.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.761 0.791 . . . . 0.0 112.799 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.01 -40.82 86.08 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.399 1.48 . . . . 0.0 111.463 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.28 -54.7 40.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.162 1.385 . . . . 0.0 109.46 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.89 66.47 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.753 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.709 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.5 tm? -59.55 -43.94 93.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 120.952 0.406 . . . . 0.0 111.621 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 m -58.66 -43.63 89.93 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -63.64 -39.44 94.36 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -58.39 -35.58 72.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.521 -0.737 . . . . 0.0 110.709 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -55.07 -14.17 1.47 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -56.21 -26.57 51.55 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.782 1.628 . . . . 0.0 110.939 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.52 -25.39 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 119.968 1.258 . . . . 0.0 111.182 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 82.56 1.13 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.362 1.465 . . . . 0.0 108.149 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 CA--C 1.535 0.371 0 C-N-CA 125.612 1.565 . . . . 0.0 111.089 -177.792 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -100.91 133.36 45.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.474 0.71 . . . . 0.0 109.141 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -73.0 109.97 6.93 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.114 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 -39.0 3.96 Favored Glycine 0 CA--C 1.534 1.277 0 CA-C-N 118.762 0.71 . . . . 0.0 113.924 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.83 -20.84 57.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 p -154.92 15.12 0.42 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.265 1.848 . . . . 0.0 114.988 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 43.72 17.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 129.557 3.143 . . . . 0.0 117.635 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -63.85 138.64 58.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 173.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.5 m -93.15 116.87 29.44 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.275 1.03 . . . . 0.0 110.053 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.56 126.05 51.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.538 1.535 . . . . 0.0 109.044 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.75 -33.1 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.555 1.542 . . . . 0.0 114.051 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.75 155.22 44.11 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.528 0.68 . . . . 0.0 111.116 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.49 -33.66 66.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.312 1.045 . . . . 0.0 110.806 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -53.48 57.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.397 0.679 . . . . 0.0 109.541 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.6 99.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.21 -53.83 51.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 109.801 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 m -58.03 -52.68 64.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.58 -37.38 70.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -67.03 -25.68 66.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.309 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -51.32 -27.43 9.56 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.507 1.049 . . . . 0.0 113.67 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -41.75 -35.87 0.88 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.264 1.026 . . . . 0.0 113.619 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -62.61 -31.47 52.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 118.99 0.813 . . . . 0.0 112.197 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -103.76 -53.71 2.71 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.804 1.241 . . . . 0.0 109.864 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 tttp . . . . . 0 N--CA 1.443 -0.779 0 C-N-CA 128.92 2.888 . . . . 0.0 111.193 -177.749 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -132.62 145.61 51.23 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -26.76 52.22 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 112.471 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.68 -51.79 3.79 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.31 -0.869 . . . . 0.0 111.765 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.38 -24.43 64.78 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 117.798 0.799 . . . . 0.0 109.737 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.9 p -150.55 108.85 3.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.0 59.27 0.16 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -173.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -93.68 141.78 28.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -90.27 118.4 29.75 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 124.061 0.944 . . . . 0.0 110.615 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CD2' HD23 ' A' ' 16' ' ' LEU . 94.4 m-85 -108.46 120.75 43.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.186 1.394 . . . . 0.0 109.521 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.69 -33.31 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.779 -0.191 . . . . 0.0 111.504 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -125.75 138.52 53.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.145 0.978 . . . . 0.0 111.354 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.16 -27.23 68.81 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.835 0.854 . . . . 0.0 112.389 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -59.96 -58.21 9.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.716 1.206 . . . . 0.0 108.637 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -47.86 68.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.475 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.664 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.5 tm? -59.56 -48.68 80.71 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 122.208 -0.308 . . . . 0.0 111.402 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -56.35 -46.66 79.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.9 tpt85 -60.14 -37.83 81.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.526 0.33 . . . . 0.0 110.113 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -65.58 -36.3 83.36 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.917 0.887 . . . . 0.0 108.908 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.48 -15.2 6.31 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 121.137 1.789 . . . . 0.0 114.133 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -57.04 -26.18 59.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 121.398 1.908 . . . . 0.0 110.018 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.23 -33.94 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 126.737 2.015 . . . . 0.0 110.475 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.03 74.54 0.72 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.787 1.235 . . . . 0.0 108.89 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 C-N-CA 124.096 0.958 . . . . 0.0 110.42 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -112.54 134.17 54.21 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -24.23 65.85 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.18 -49.92 4.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 120.936 -1.103 . . . . 0.0 111.432 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.84 -21.14 61.0 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.157 -0.613 . . . . 0.0 110.057 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 p -160.34 120.86 2.93 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.36 65.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.414 1.085 . . . . 0.0 113.344 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -104.23 146.23 29.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 m -92.97 126.03 37.85 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 123.249 0.619 . . . . 0.0 111.02 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' CD2' HD22 ' A' ' 16' ' ' LEU . 95.6 m-85 -118.4 118.57 32.12 Favored 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 124.564 1.146 . . . . 0.0 108.788 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.1 m -57.34 -36.26 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -132.97 157.1 46.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.066 0.936 . . . . 0.0 112.37 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.24 -22.84 66.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.373 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -63.95 -62.34 1.7 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -45.02 30.05 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.391 0.676 . . . . 0.0 109.959 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -57.36 -56.59 19.88 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.329 0.652 . . . . 0.0 111.023 178.403 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -51.83 -46.78 64.47 Favored 'General case' 0 C--N 1.34 0.152 0 O-C-N 122.095 -0.378 . . . . 0.0 110.6 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -65.99 -40.21 91.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -60.1 -37.02 78.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.566 -0.709 . . . . 0.0 111.485 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -47.37 -30.94 3.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -49.22 -24.7 1.86 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.21 -35.13 74.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 120.384 1.447 . . . . 0.0 111.092 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -99.76 -47.14 5.17 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.55 1.14 . . . . 0.0 110.691 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt . . . . . 0 N--CA 1.447 -0.597 0 C-N-CA 130.208 3.403 . . . . 0.0 112.0 -176.572 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -96.49 124.34 40.45 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -21.82 65.2 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 -50.9 4.26 Favored Glycine 0 CA--C 1.527 0.808 0 O-C-N 121.052 -1.03 . . . . 0.0 111.402 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -67.97 -25.37 65.4 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.6 p -157.17 118.63 3.71 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 102.277 -3.231 . . . . 0.0 102.277 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.06 49.96 0.2 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 ttt-85 -89.05 144.65 25.99 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -86.42 129.53 34.82 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.683 1.193 . . . . 0.0 112.015 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CD1' ' CD2' ' A' ' 16' ' ' LEU . 82.8 m-85 -123.48 135.7 54.2 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 124.665 1.186 . . . . 0.0 109.234 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -79.21 -32.21 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.79 154.62 50.09 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.608 0.718 . . . . 0.0 112.612 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -57.91 -43.56 86.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.895 0.878 . . . . 0.0 110.723 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -54.65 -41.44 70.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.89 0.876 . . . . 0.0 111.02 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.05 88.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' CD2' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.57 -51.24 70.27 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 123.138 0.575 . . . . 0.0 109.612 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 m -50.41 -52.94 33.2 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.207 1.003 . . . . 0.0 109.391 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -62.36 -44.96 95.25 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -55.85 -36.25 67.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.947 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -52.16 -25.39 8.87 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 121.178 1.808 . . . . 0.0 113.655 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -49.93 -30.47 10.33 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.535 1.061 . . . . 0.0 111.083 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.95 -36.64 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.917 2.087 . . . . 0.0 111.933 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -109.59 -52.74 2.74 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 124.275 1.03 . . . . 0.0 109.955 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt . . . . . 0 N--CA 1.442 -0.862 0 C-N-CA 128.633 2.773 . . . . 0.0 111.292 -178.612 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -110.71 145.41 38.07 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.429 0.691 . . . . 0.0 111.058 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HA ' HD21 ' A' ' 16' ' ' LEU . 11.9 t -78.35 -25.34 46.31 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 126.052 1.741 . . . . 0.0 113.644 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.28 -52.13 4.02 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 121.229 -0.919 . . . . 0.0 111.007 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.48 -38.01 83.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 p -146.89 86.71 1.66 Allowed 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.46 59.07 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.838 2.855 . . . . 0.0 118.01 -174.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -84.25 127.39 33.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -84.47 96.13 9.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.925 0.49 . . . . 0.0 110.936 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.644 ' CD2' HD23 ' A' ' 16' ' ' LEU . 91.9 m-85 -84.87 137.1 33.35 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.03 -41.82 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 C-N-CA 124.152 0.981 . . . . 0.0 110.539 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -120.96 146.86 46.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.203 1.001 . . . . 0.0 111.573 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -60.56 -35.54 76.31 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -51.88 58.68 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.756 0.822 . . . . 0.0 110.527 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.84 63.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.59 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.644 HD23 ' CD2' ' A' ' 10' ' ' PHE . 2.7 tm? -54.39 -46.55 73.12 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 111.801 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -60.54 -53.61 55.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -56.27 -39.67 73.0 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -60.72 -30.76 70.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.064 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -50.53 -32.94 19.81 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 119.938 1.245 . . . . 0.0 112.979 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -36.02 -37.79 0.12 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 114.331 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 m -56.61 -40.47 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.717 0.689 . . . . 0.0 111.668 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -102.17 -50.54 3.61 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.447 1.099 . . . . 0.0 109.22 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.44 -0.931 0 C-N-CA 125.294 1.438 . . . . 0.0 108.778 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.46 148.0 26.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.752 1.221 . . . . 0.0 108.989 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.96 -62.97 1.43 Allowed 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.77 -52.52 0.72 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 109.326 -1.509 . . . . 0.0 109.326 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -15.67 60.82 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -159.83 -164.07 1.26 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 101.808 -3.404 . . . . 0.0 101.808 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.31 106.05 1.73 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.495 -0.753 . . . . 0.0 112.267 -176.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.07 132.98 32.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -74.91 86.57 2.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.188 0.595 . . . . 0.0 110.864 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.36 143.38 44.89 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 m -71.12 -31.96 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.25 153.83 46.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.318 0.58 . . . . 0.0 112.293 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -55.25 -37.1 66.78 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.928 0.891 . . . . 0.0 110.707 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -51.0 63.86 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.258 1.023 . . . . 0.0 110.243 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.63 91.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.249 1.02 . . . . 0.0 110.088 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -46.4 83.3 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.296 1.039 . . . . 0.0 110.052 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -59.76 -54.31 47.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.51 -46.57 70.15 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -55.86 -28.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.081 -0.961 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -59.32 -25.03 63.81 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 121.536 1.971 . . . . 0.0 112.331 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -26.36 5.42 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.148 1.34 . . . . 0.0 111.435 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.87 -37.17 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 C-N-CA 126.987 2.115 . . . . 0.0 111.388 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -124.37 -7.95 7.54 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.863 1.265 . . . . 0.0 114.264 -176.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp . . . . . 0 N--CA 1.445 -0.711 0 C-N-CA 124.741 1.216 . . . . 0.0 111.589 -173.092 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -114.06 148.79 36.49 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.104 0.962 . . . . 0.0 112.847 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.39 111.77 24.07 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 174.577 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.59 -35.63 11.33 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.281 0.467 . . . . 0.0 114.015 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.6 mt -77.68 -21.23 52.37 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.454 0.702 . . . . 0.0 112.871 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -165.02 93.25 0.61 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.84 61.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -172.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.3 134.14 42.58 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -79.51 87.5 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.643 1.177 . . . . 0.0 111.29 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.53 ' CD2' HD23 ' A' ' 16' ' ' LEU . 86.0 m-85 -84.92 120.58 26.65 Favored 'General case' 0 C--O 1.228 -0.042 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.97 -34.07 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.313 0.645 . . . . 0.0 112.263 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 142.64 51.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.372 1.069 . . . . 0.0 110.426 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -60.24 -31.15 69.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.464 0.705 . . . . 0.0 112.304 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 m -53.76 -48.43 69.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.645 0.778 . . . . 0.0 111.302 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.77 70.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' A' ' 10' ' ' PHE . 2.9 tm? -53.99 -43.61 70.14 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.014 0.925 . . . . 0.0 110.748 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 m -61.75 -55.57 28.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -57.14 -34.23 68.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.314 0.246 . . . . 0.0 110.781 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -61.62 -25.04 67.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 109.233 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -65.77 -1.51 2.9 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 121.739 2.063 . . . . 0.0 113.115 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.4 -29.66 69.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.259 21.8 t -79.59 138.13 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.362 0 N-CA-C 103.527 -2.768 . . . . 0.0 103.527 172.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 72.41 -49.1 0.69 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 N--CA 1.453 -0.276 0 C-N-CA 127.156 2.182 . . . . 0.0 112.453 -175.727 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 121.714 0.769 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.85 79.6 1.61 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.143 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.98 -29.55 65.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.796 0.438 . . . . 0.0 110.26 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 -51.11 4.52 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.04 -16.4 62.04 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 p -171.47 -175.28 1.58 Allowed 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 103.241 -2.874 . . . . 0.0 103.241 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -150.65 105.5 3.3 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 127.342 2.257 . . . . 0.0 107.588 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 80.2 mtp180 -134.95 154.38 51.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.241 1.417 . . . . 0.0 107.567 177.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -77.68 78.28 4.18 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 8' ' ' ARG . 54.8 m-85 -87.82 -37.78 16.26 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.101 0.96 . . . . 0.0 110.128 175.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.259 9.2 m 57.3 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 130.335 3.454 . . . . 0.0 117.051 178.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -132.25 131.56 42.2 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.502 1.121 . . . . 0.0 111.296 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -45.87 -35.8 4.81 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.244 1.818 . . . . 0.0 113.022 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -62.2 2.03 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.285 1.434 . . . . 0.0 109.431 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.87 87.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.711 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -58.37 -47.07 85.0 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.908 0.883 . . . . 0.0 110.336 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -58.69 -56.65 19.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -55.46 -38.92 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.387 -0.196 . . . . 0.0 110.624 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -59.92 -30.55 69.12 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.441 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.38 -27.62 10.43 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 119.836 1.198 . . . . 0.0 113.067 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -45.85 -31.39 2.09 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.016 0.826 . . . . 0.0 113.21 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.58 -30.79 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 119.869 1.213 . . . . 0.0 112.047 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -105.92 -54.9 2.41 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.374 1.07 . . . . 0.0 110.52 -177.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? . . . . . 0 N--CA 1.447 -0.581 0 C-N-CA 128.733 2.813 . . . . 0.0 110.366 -177.522 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -118.7 125.37 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.34 66.12 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.553 0.741 . . . . 0.0 112.72 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.14 3.88 Favored Glycine 0 CA--C 1.527 0.827 0 O-C-N 121.301 -0.874 . . . . 0.0 111.516 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.28 -23.62 64.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.549 0.675 . . . . 0.0 109.353 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 p -155.81 114.61 3.49 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -71.77 61.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.402 1.481 . . . . 0.0 113.812 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -99.06 141.53 31.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 p -82.79 108.47 16.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.128 1.371 . . . . 0.0 111.794 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 69.4 m-85 -102.87 102.65 12.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.691 0.796 . . . . 0.0 109.793 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 p -44.62 -38.25 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 125.946 1.698 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -135.61 162.17 33.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.314 1.054 . . . . 0.0 112.33 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.04 -32.38 67.93 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.016 -1.447 . . . . 0.0 108.571 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 p -64.27 -54.76 28.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.26 69.0 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.031 0.932 . . . . 0.0 110.557 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -53.8 44.52 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.638 0.775 . . . . 0.0 109.448 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -53.69 -49.01 68.96 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.795 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -57.44 -45.09 85.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 76.2 t60 -59.53 -31.28 69.25 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.355 178.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.17 1.71 0.68 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 122.045 2.202 . . . . 0.0 114.324 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.63 -27.08 68.4 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 168.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 21.9 t -82.85 143.1 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 127.969 2.508 . . . . 0.0 104.921 174.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 72.24 -61.7 0.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.707 1.203 . . . . 0.0 112.537 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt . . . . . 0 N--CA 1.451 -0.38 0 C-N-CA 127.099 2.16 . . . . 0.0 111.651 -177.573 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 122.043 0.925 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -74.69 77.15 2.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.487 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -24.77 66.7 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 176.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.36 -54.53 4.19 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.066 0.841 . . . . 0.0 111.038 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.84 -14.46 60.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.94 0.37 . . . . 0.0 111.518 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -172.0 159.49 5.05 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -132.24 92.4 3.09 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.993 2.117 . . . . 0.0 108.185 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.418 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 61.8 mtp180 -115.19 155.29 27.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -72.8 73.96 1.12 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 54.2 m-85 -85.0 -38.63 19.0 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.935 0.894 . . . . 0.0 110.551 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.339 2.5 p 53.34 -0.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 130.634 3.573 . . . . 0.0 118.472 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -138.09 138.64 38.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 125.348 1.459 . . . . 0.0 110.381 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.65 -35.52 66.05 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.408 1.083 . . . . 0.0 111.353 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -59.49 -61.43 2.63 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.455 1.102 . . . . 0.0 109.046 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -45.18 71.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.91 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -54.17 49.95 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 122.878 0.471 . . . . 0.0 109.814 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -54.21 -46.73 72.54 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -59.81 -44.0 94.22 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 16.7 t60 -60.25 -36.16 77.14 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.431 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -55.84 -9.76 0.63 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.95 1.25 . . . . 0.0 113.435 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -55.19 -33.26 62.86 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.982 1.264 . . . . 0.0 109.266 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.26 -32.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 118.911 0.778 . . . . 0.0 110.596 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.44 101.32 2.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.261 1.024 . . . . 0.0 110.713 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 C-N-CA 124.304 1.041 . . . . 0.0 110.985 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 122.003 0.906 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.44 76.66 1.04 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.565 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -24.13 61.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.969 0.508 . . . . 0.0 110.387 176.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.31 -52.01 4.65 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.74 -20.69 58.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.72 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 p -163.67 -19.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 38.73 55.4 1.96 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -77.56 154.77 32.05 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -72.61 79.01 1.08 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.24 1.416 . . . . 0.0 113.738 -176.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 12' ' ' GLU . 71.6 m-85 -93.36 -41.94 9.57 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.124 0.57 . . . . 0.0 110.515 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.274 18.2 m 61.87 -23.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 1 C-N-CA 132.22 4.208 . . . . 0.0 114.441 -179.247 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 10' ' ' PHE . 2.7 tm-20 -93.09 112.41 24.36 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 127.611 2.364 . . . . 0.0 108.64 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -45.47 -55.36 6.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.718 1.207 . . . . 0.0 112.881 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.08 -51.93 48.47 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.105 0.411 . . . . 0.0 110.984 -177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -40.56 85.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.509 0.724 . . . . 0.0 110.41 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.32 -49.81 75.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 118.761 0.71 . . . . 0.0 109.819 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -47.85 84.35 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -54.78 -44.83 74.05 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.198 0.599 . . . . 0.0 109.62 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -58.13 -28.28 64.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.454 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -52.12 -28.23 17.05 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 120.418 1.463 . . . . 0.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -32.59 1.54 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.021 0.929 . . . . 0.0 113.228 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -63.17 -34.33 66.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 120.013 1.279 . . . . 0.0 111.889 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -101.57 -51.92 3.34 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 123.919 0.888 . . . . 0.0 110.606 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm . . . . . 0 N--CA 1.445 -0.697 0 C-N-CA 131.581 3.952 . . . . 0.0 107.654 -176.356 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -82.78 121.3 26.72 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.09 108.73 3.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.58 -34.64 5.17 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-N 118.833 0.742 . . . . 0.0 113.508 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.2 mt -79.98 -19.85 46.88 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.0 p -159.45 21.38 0.18 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.159 1.8 . . . . 0.0 114.432 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.26 30.8 mt-10 35.34 23.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 131.139 3.776 . . . . 0.0 119.036 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -68.08 141.01 56.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -94.21 120.2 34.12 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.806 1.242 . . . . 0.0 109.05 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CD2' HD22 ' A' ' 16' ' ' LEU . 97.2 m-85 -109.91 138.89 45.65 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 124.692 1.197 . . . . 0.0 112.496 -177.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 m -47.03 -45.23 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.459 1.504 . . . . 0.0 113.089 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.74 162.23 41.11 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.976 0.417 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -32.97 45.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.842 0.857 . . . . 0.0 111.835 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -47.77 84.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.533 0.733 . . . . 0.0 109.759 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.0 92.88 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -58.96 -55.63 32.63 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.843 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.3 m -50.74 -49.72 57.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.239 1.015 . . . . 0.0 109.635 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -57.93 -47.59 82.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 22' ' ' VAL . 54.8 t60 -58.22 -44.61 88.29 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.583 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -50.46 -23.14 2.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -49.3 -29.49 6.06 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.204 1.366 . . . . 0.0 110.376 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.41 HG13 ' CG ' ' A' ' 23' ' ' HIS . 4.3 p -57.43 -38.26 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 128.249 2.619 . . . . 0.0 113.958 177.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.41 ' CG ' HG13 ' A' ' 22' ' ' VAL . 18.2 m80 -109.6 -44.74 3.8 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.792 1.237 . . . . 0.0 110.134 -177.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.83 0 C-N-CA 129.917 3.287 . . . . 0.0 112.917 -177.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -132.62 136.85 46.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.1 110.21 11.57 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.02 -36.3 2.62 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 123.699 0.666 . . . . 0.0 114.203 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -79.84 -19.95 47.17 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 p -151.52 10.56 0.57 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.845 1.657 . . . . 0.0 115.0 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 45.98 19.05 0.06 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 128.309 2.643 . . . . 0.0 116.602 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -66.65 143.38 57.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -89.34 142.65 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.339 0.656 . . . . 0.0 111.083 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CD1' HD22 ' A' ' 16' ' ' LEU . 94.1 m-85 -134.31 137.51 44.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.502 . . . . 0.0 109.878 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -48.78 63.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.314 1.046 . . . . 0.0 112.355 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.57 171.58 16.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.845 0.831 . . . . 0.0 112.954 -178.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -47.77 -41.42 23.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.318 1.847 . . . . 0.0 113.546 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -47.98 82.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.771 0.714 . . . . 0.0 110.103 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.85 99.64 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -58.84 -50.44 73.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.681 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.9 m -55.9 -52.62 63.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -54.45 -41.56 69.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.352 0.661 . . . . 0.0 110.334 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -58.76 -27.5 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.675 -0.679 . . . . 0.0 111.561 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -63.08 0.69 0.55 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.942 1.246 . . . . 0.0 113.01 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -32.93 64.3 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.45 146.01 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 73.2 -58.64 0.59 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.531 1.932 . . . . 0.0 110.662 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 tttm . . . . . 0 N--CA 1.447 -0.578 0 C-N-CA 126.013 1.725 . . . . 0.0 110.858 -178.238 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -79.89 128.86 33.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 t -56.71 -28.6 61.25 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.77 -54.3 4.4 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.96 -28.34 65.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.088 0.555 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 p -152.44 30.54 0.53 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.367 0.531 . . . . 0.0 110.555 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.256 23.1 mt-10 21.76 19.57 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 2 C-N-CA 132.415 4.286 . . . . 0.0 121.848 -179.92 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -59.2 134.12 56.71 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -98.29 111.26 23.66 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.586 1.155 . . . . 0.0 109.86 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.449 ' CD1' HD22 ' A' ' 16' ' ' LEU . 61.5 m-85 -102.39 139.11 38.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.562 1.145 . . . . 0.0 109.688 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.29 -42.13 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -115.54 147.83 40.23 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.616 0.766 . . . . 0.0 112.181 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.63 -31.48 70.67 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.881 0.872 . . . . 0.0 110.662 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -49.34 77.94 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.52 92.31 Favored 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.449 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -54.32 -52.12 62.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.309 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -56.76 -47.65 79.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.646 0.379 . . . . 0.0 110.683 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.37 -25.09 65.6 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.583 0.353 . . . . 0.0 110.593 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.426 ' O ' HG12 ' A' ' 22' ' ' VAL . 53.4 t60 -81.34 -52.19 7.56 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.875 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -45.74 -33.22 2.89 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -44.55 -29.99 0.82 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.108 0.867 . . . . 0.0 111.175 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.431 HG13 ' CG ' ' A' ' 23' ' ' HIS . 9.2 p -53.19 -42.7 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 127.548 2.339 . . . . 0.0 113.319 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' CG ' HG13 ' A' ' 22' ' ' VAL . 5.3 m80 -110.52 -29.94 7.85 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.584 1.154 . . . . 0.0 111.895 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 N--CA 1.446 -0.648 0 C-N-CA 126.953 2.101 . . . . 0.0 112.293 -171.995 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -102.83 137.46 41.01 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.6 t -68.07 108.41 3.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.98 -33.72 3.77 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-N 118.888 0.767 . . . . 0.0 113.727 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.24 -21.84 45.64 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.67 18.79 0.46 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.994 1.725 . . . . 0.0 114.475 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 36.76 34.21 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.455 3.502 . . . . 0.0 118.483 178.33 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -81.46 140.31 34.69 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.049 -2.574 . . . . 0.0 104.049 173.031 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -84.71 136.4 33.74 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 124.047 0.939 . . . . 0.0 110.872 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.2 m-85 -121.71 -34.48 3.39 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER 72.58 -36.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 128.128 2.571 . . . . 0.0 112.704 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -102.53 122.56 44.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 126.966 2.106 . . . . 0.0 109.625 -179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -56.57 -39.21 73.09 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.695 0.398 . . . . 0.0 110.926 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.491 1.116 . . . . 0.0 110.535 178.279 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.54 -42.09 62.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.95 -48.42 75.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.772 0.829 . . . . 0.0 108.801 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 m -56.69 -55.78 29.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.368 1.067 . . . . 0.0 108.971 178.426 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -52.52 -44.74 65.94 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 78.7 t60 -60.6 -29.13 69.01 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.667 -178.89 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -59.71 -19.86 52.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 121.113 1.778 . . . . 0.0 112.443 177.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -52.5 -27.84 18.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.607 1.549 . . . . 0.0 110.708 177.235 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.6 -28.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 C-N-CA 126.929 2.091 . . . . 0.0 112.088 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -123.25 -55.3 1.77 Allowed 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.406 1.083 . . . . 0.0 111.434 -176.411 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 130.766 3.626 . . . . 0.0 114.597 -178.118 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -135.83 145.59 46.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 t -86.66 106.95 17.96 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 118.815 0.734 . . . . 0.0 110.514 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.57 7.47 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 118.096 0.407 . . . . 0.0 113.669 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.77 -20.3 50.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.109 -0.948 . . . . 0.0 113.448 -178.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.4 p -152.99 20.86 0.58 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.442 1.474 . . . . 0.0 114.445 -178.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.292 10.7 pt-20 44.61 2.27 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 130.363 3.465 . . . . 0.0 119.6 177.478 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -56.4 144.5 30.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 174.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 m -96.46 134.79 39.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.932 1.293 . . . . 0.0 108.751 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' HD22 ' A' ' 16' ' ' LEU . 85.3 m-85 -126.31 -24.94 3.58 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.921 0.889 . . . . 0.0 113.146 -176.768 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.348 1.6 p 46.76 25.75 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 117.022 2.231 . . . . 0.0 117.022 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -157.94 136.48 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 126.311 1.845 . . . . 0.0 108.121 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -66.85 -21.82 66.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.452 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -66.76 -64.06 0.93 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.77 -42.7 62.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.613 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.09 -54.08 49.07 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 118.588 0.631 . . . . 0.0 110.614 177.937 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -53.92 -46.2 71.41 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.794 -0.566 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -57.8 -48.8 78.68 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.182 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -58.39 -36.23 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.06 -11.66 3.84 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 121.378 1.899 . . . . 0.0 114.145 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -54.63 -29.48 52.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 120.87 1.668 . . . . 0.0 108.755 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.75 -36.43 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 127.144 2.178 . . . . 0.0 111.083 178.466 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.69 66.79 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -176.338 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.2 pttt . . . . . 0 CA--C 1.533 0.323 0 C-N-CA 124.074 0.95 . . . . 0.0 109.96 177.575 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -132.26 138.18 47.79 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.04 113.65 22.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.21 -10.43 2.68 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.3 mt -113.01 9.13 18.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.297 1.439 . . . . 0.0 112.208 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -148.98 -36.11 0.18 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.497 1.044 . . . . 0.0 112.522 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 72.44 16.07 5.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 127.965 2.506 . . . . 0.0 112.431 -177.559 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.1 143.04 52.53 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 174.13 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -89.88 131.65 35.69 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.389 0.676 . . . . 0.0 109.178 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 16' ' ' LEU . 96.5 m-85 -126.43 123.89 38.9 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.301 1.44 . . . . 0.0 109.245 -178.717 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.5 -39.3 85.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.086 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -115.8 148.68 39.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.736 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -63.87 -33.65 76.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 175.099 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -46.16 88.59 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.926 0.89 . . . . 0.0 109.247 176.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -57.45 -51.82 67.9 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.296 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -52.9 -48.75 66.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.421 0.689 . . . . 0.0 109.524 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.4 tpt85 -61.84 -39.05 90.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.931 0.493 . . . . 0.0 110.292 177.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -63.14 -29.31 70.69 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.509 -179.803 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -61.7 7.24 0.05 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 177.217 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -37.7 81.36 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 170.203 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.412 HG23 ' CE1' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -82.91 150.37 4.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 174.777 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.412 ' CE1' HG23 ' A' ' 22' ' ' VAL . 2.4 m-70 72.24 -59.41 0.56 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.771 . . . . 0.0 110.261 -176.848 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 N--CA 1.447 -0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 110.673 -179.097 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -134.13 148.3 50.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.21 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -27.4 44.16 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.428 0.691 . . . . 0.0 112.769 -177.264 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.64 -50.75 3.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 121.099 -1.001 . . . . 0.0 112.114 178.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.65 -24.25 65.43 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.721 0.761 . . . . 0.0 109.337 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.1 p -154.86 110.77 3.17 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 101.04 -3.689 . . . . 0.0 101.04 176.359 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.82 55.69 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -172.798 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -82.59 144.52 30.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 173.273 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.2 m -101.55 135.72 42.6 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.507 0.723 . . . . 0.0 109.809 -179.533 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.734 ' CD2' HD23 ' A' ' 16' ' ' LEU . 73.6 m-85 -129.37 139.06 51.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.597 1.559 . . . . 0.0 108.261 -178.343 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -43.44 51.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.851 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.91 154.4 37.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.837 0.855 . . . . 0.0 111.63 178.365 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -58.36 -31.8 67.95 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.121 1.368 . . . . 0.0 113.685 -179.178 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -58.31 -57.78 11.37 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.794 0.725 . . . . 0.0 111.743 -176.419 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.31 -46.07 80.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.678 0.791 . . . . 0.0 109.926 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.734 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.6 tm? -61.3 -50.22 73.85 Favored 'General case' 0 N--CA 1.437 -1.076 0 O-C-N 122.271 -0.268 . . . . 0.0 111.679 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -60.34 -43.6 96.28 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 108.868 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -57.52 -41.13 80.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -62.39 -48.72 78.5 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -56.02 -12.2 1.36 Allowed 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -54.26 -28.16 39.81 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.623 1.556 . . . . 0.0 108.125 172.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.414 HG13 ' CG ' ' A' ' 23' ' ' HIS . 1.4 p -64.83 -31.91 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 127.825 2.45 . . . . 0.0 113.284 176.854 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.414 ' CG ' HG13 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -168.48 75.41 0.11 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 125.061 1.344 . . . . 0.0 110.981 -178.526 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.431 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -112.36 134.29 53.97 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.932 1.293 . . . . 0.0 108.543 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.1 p -78.45 -8.13 58.18 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.117 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.08 -48.43 1.72 Allowed Glycine 0 CA--C 1.533 1.165 0 CA-C-N 119.164 0.893 . . . . 0.0 113.775 178.756 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.88 -35.92 81.97 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.058 0.943 . . . . 0.0 110.722 -177.675 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -145.26 20.65 1.56 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.234 1.014 . . . . 0.0 110.327 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 16.26 46.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 130.643 3.577 . . . . 0.0 118.325 -178.746 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -70.33 128.82 37.54 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 175.118 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -89.12 120.22 30.32 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.358 0.663 . . . . 0.0 111.849 -175.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 16' ' ' LEU . 72.7 m-85 -113.63 136.96 52.25 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.333 1.053 . . . . 0.0 110.291 179.023 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.38 -39.37 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 123.822 0.849 . . . . 0.0 110.95 178.102 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.5 149.03 34.92 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.358 177.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.75 -19.92 62.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.601 176.392 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -63.44 -57.08 11.43 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.97 62.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.293 1.037 . . . . 0.0 109.293 177.23 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -59.33 -47.11 86.63 Favored 'General case' 0 N--CA 1.439 -0.984 0 O-C-N 121.545 -0.722 . . . . 0.0 111.584 177.16 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -53.7 -46.87 70.89 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -62.58 -31.91 72.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 176.54 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.07 -28.08 62.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 119.582 1.083 . . . . 0.0 110.464 -178.08 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -53.65 -22.01 7.98 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 118.164 -0.922 . . . . 0.0 112.612 178.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -48.43 -30.19 4.81 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.144 0.884 . . . . 0.0 112.418 177.774 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -25.28 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 119.431 1.014 . . . . 0.0 112.534 179.076 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -112.94 -59.1 2.06 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.269 1.028 . . . . 0.0 112.293 -176.666 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt . . . . . 0 N--CA 1.447 -0.619 0 C-N-CA 129.298 3.039 . . . . 0.0 112.744 -174.954 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -116.83 133.65 55.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -18.74 64.84 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.898 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.58 -52.93 3.92 Favored Glycine 0 CA--C 1.528 0.847 0 O-C-N 121.036 -1.04 . . . . 0.0 112.062 178.118 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.32 -29.35 69.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.351 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -157.06 108.53 2.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 175.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.93 53.53 0.35 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -173.064 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -77.32 135.21 38.37 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -79.19 113.62 17.46 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.296 1.039 . . . . 0.0 112.163 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.32 108.26 16.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.349 1.46 . . . . 0.0 108.241 178.109 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.09 -46.58 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.027 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.19 136.79 32.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.839 1.256 . . . . 0.0 111.395 -177.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -61.0 -39.15 88.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.691 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.52 -40.75 83.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.503 0.721 . . . . 0.0 109.819 176.721 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.47 86.6 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -57.51 -54.05 51.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.771 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.88 -50.85 60.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.389 0.676 . . . . 0.0 109.842 179.25 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -57.45 -42.51 82.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.957 0.503 . . . . 0.0 110.241 178.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -60.01 -31.96 70.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.869 -0.52 . . . . 0.0 110.585 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.33 -6.92 1.1 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.313 0.961 . . . . 0.0 113.258 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -52.14 -35.7 49.23 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.516 1.053 . . . . 0.0 109.029 172.404 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -20.22 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 118.216 0.462 . . . . 0.0 112.083 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.37 110.26 0.38 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.303 1.441 . . . . 0.0 109.588 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.622 0 C-N-CA 124.175 0.99 . . . . 0.0 108.495 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -133.12 143.72 49.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.6 t -73.22 109.08 6.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.258 0.481 . . . . 0.0 110.738 -178.677 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.54 -30.68 13.44 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 118.416 0.553 . . . . 0.0 113.263 178.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.68 -17.19 42.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.936 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 p -155.09 17.14 0.42 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 121.186 1.812 . . . . 0.0 115.094 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 44.8 12.46 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 130.0 3.32 . . . . 0.0 118.187 177.129 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.91 144.01 57.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 174.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 p -87.81 122.44 31.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.941 1.697 . . . . 0.0 110.622 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CD1' HD22 ' A' ' 16' ' ' LEU . 93.9 m-85 -111.84 -28.67 7.97 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 123.943 0.897 . . . . 0.0 111.873 179.874 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 71.55 -28.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 126.682 1.993 . . . . 0.0 114.287 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.57 144.54 51.31 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.066 1.347 . . . . 0.0 111.571 179.249 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -55.6 -39.4 70.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.138 1.375 . . . . 0.0 110.956 179.439 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -59.46 5.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.344 0.657 . . . . 0.0 110.382 -178.559 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.58 80.58 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -57.23 -57.88 10.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.835 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -57.88 -43.54 86.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.877 -0.514 . . . . 0.0 110.526 -178.298 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -58.7 -39.19 80.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.165 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -66.26 -44.2 84.31 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.836 -1.078 . . . . 0.0 108.546 177.596 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -66.01 7.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.11 -31.05 72.1 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 103.911 -2.625 . . . . 0.0 103.911 166.167 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.92 147.92 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.17 2.588 . . . . 0.0 107.4 173.916 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 73.84 -63.66 0.42 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.334 1.854 . . . . 0.0 106.809 -175.242 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tptm . . . . . 0 N--CA 1.439 -1.003 1 C-N-CA 133.323 4.649 . . . . 0.0 110.565 176.076 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.41 142.85 34.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.145 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -15.23 57.1 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.849 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.28 -55.27 4.6 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.396 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 mt -69.09 -27.29 65.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 p -157.7 97.28 1.57 Allowed 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 177.027 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.97 61.47 0.42 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -174.351 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -84.72 133.47 34.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 175.048 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -74.8 90.13 2.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.475 0.71 . . . . 0.0 112.426 -176.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -78.75 124.16 27.91 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.179 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -49.26 -36.79 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.442 1.097 . . . . 0.0 113.906 -177.772 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -145.8 158.94 43.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.267 0.556 . . . . 0.0 111.755 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.24 -33.4 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 111.589 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.494 0.717 . . . . 0.0 109.456 177.587 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.46 95.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 16' ' ' LEU . 1.3 tm? -58.0 -59.44 5.26 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 123.419 0.688 . . . . 0.0 109.732 178.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 p -58.62 -42.73 88.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.679 -0.638 . . . . 0.0 109.954 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -56.7 -42.61 79.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.746 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -62.77 -43.18 99.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 177.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -63.51 4.49 0.24 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -60.79 -29.89 69.72 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 167.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.57 147.0 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 128.992 2.917 . . . . 0.0 107.72 174.878 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 m80 73.15 -61.02 0.52 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.888 1.675 . . . . 0.0 108.502 -176.361 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? . . . . . 0 N--CA 1.446 -0.659 0 C-N-CA 128.109 2.564 . . . . 0.0 110.868 179.742 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -132.34 149.06 52.43 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.079 0.552 . . . . 0.0 109.764 -178.472 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -82.16 -30.99 30.71 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 124.013 0.925 . . . . 0.0 112.114 -179.674 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.5 -49.56 3.64 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.5 mt -70.48 -14.82 62.68 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 117.8 0.8 . . . . 0.0 110.72 179.056 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 p -161.35 125.71 3.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 175.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 58.78 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -91.7 144.21 25.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.008 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -96.13 126.37 41.31 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.733 1.213 . . . . 0.0 108.993 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -116.22 127.32 54.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.824 1.25 . . . . 0.0 108.937 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.0 m -66.31 -32.29 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.879 0.471 . . . . 0.0 111.847 -178.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -141.09 147.8 39.12 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.731 0.813 . . . . 0.0 110.035 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -56.25 -33.52 65.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.85 0.86 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -44.78 84.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.803 1.241 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.35 90.42 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.67 -40.89 96.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 O-C-N 122.247 -0.283 . . . . 0.0 110.319 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -52.72 -42.46 64.88 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.849 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -73.86 -22.21 59.83 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 175.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -71.96 -30.35 65.2 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 120.676 -1.265 . . . . 0.0 110.284 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.34 6.8 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 178.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -57.88 -37.98 74.93 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 168.475 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.425 HG23 ' CE1' ' A' ' 23' ' ' HIS . 1.5 m -89.32 147.4 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 175.556 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CE1' HG23 ' A' ' 22' ' ' VAL . 2.9 m-70 72.77 -61.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 109.989 -177.021 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp . . . . . 0 N--CA 1.445 -0.689 0 C-N-CA 126.959 2.104 . . . . 0.0 111.063 -179.14 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.73 133.89 36.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.4 -52.44 37.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.26 1.424 . . . . 0.0 114.822 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.24 -51.26 0.74 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -178.176 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.97 -17.94 60.94 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.118 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -156.19 -157.16 0.69 Allowed 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -114.27 -110.02 0.36 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.367 0.667 . . . . 0.0 110.697 -177.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 62.11 110.85 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.875 2.07 . . . . 0.0 110.154 -178.855 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 m -75.03 87.41 2.36 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.127 -0.983 . . . . 0.0 111.481 -178.053 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' CD2' HD22 ' A' ' 16' ' ' LEU . 86.9 m-85 -76.77 112.32 13.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.193 0.597 . . . . 0.0 110.127 179.622 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -47.03 -42.6 6.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.096 1.358 . . . . 0.0 113.53 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.94 156.4 36.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 122.282 1.039 . . . . 0.0 112.364 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.35 -26.47 68.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.549 176.286 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 p -65.08 -53.23 48.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.68 83.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 110.149 177.751 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -58.71 -53.54 57.23 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.09 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -56.06 -46.4 78.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.802 -0.561 . . . . 0.0 110.013 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -57.89 -42.24 84.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 22' ' ' VAL . 59.6 t60 -60.04 -34.73 73.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.759 -0.588 . . . . 0.0 110.129 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -62.42 2.12 0.29 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 120.003 1.274 . . . . 0.0 114.032 175.504 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.48 -29.26 68.94 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 169.487 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 19' ' ' HIS . 1.1 m -95.36 149.58 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 174.803 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.08 -63.9 0.26 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 128.014 2.526 . . . . 0.0 112.202 -178.111 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tptm . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -175.361 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 147.45 33.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.587 0.355 . . . . 0.0 110.832 -178.716 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 t -81.86 110.07 16.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.022 0.929 . . . . 0.0 111.596 -179.544 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.09 -23.4 11.86 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-N 118.265 0.484 . . . . 0.0 114.056 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.7 mt -92.31 -16.98 25.35 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.289 1.035 . . . . 0.0 113.606 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 p -158.46 17.69 0.21 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.643 1.565 . . . . 0.0 115.208 -177.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 35.48 36.58 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.302 3.041 . . . . 0.0 117.036 177.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -75.16 141.74 43.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 173.404 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -86.19 132.2 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.337 1.055 . . . . 0.0 111.261 -178.824 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.624 ' CE2' HD23 ' A' ' 16' ' ' LEU . 92.7 m-85 -127.77 125.19 39.42 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 124.457 1.103 . . . . 0.0 109.634 178.758 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.89 -37.35 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 124.771 1.228 . . . . 0.0 112.845 -179.578 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -144.51 158.65 43.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.09 0.556 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -53.46 22.56 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -176.772 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -47.21 56.32 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.248 0.931 . . . . 0.0 112.822 -175.5 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.94 -46.03 78.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.145 0.578 . . . . 0.0 110.009 178.36 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 10' ' ' PHE . 1.1 tm? -65.21 -48.67 72.57 Favored 'General case' 0 N--CA 1.438 -1.035 0 O-C-N 121.898 -0.501 . . . . 0.0 110.864 179.77 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -54.4 -46.95 73.23 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.491 -0.756 . . . . 0.0 109.362 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -58.79 -40.62 84.55 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.163 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 22' ' ' VAL . 49.6 t60 -59.8 -34.68 73.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.626 -179.83 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -62.64 0.82 0.45 Allowed 'General case' 0 C--N 1.342 0.277 0 CA-C-N 120.2 1.363 . . . . 0.0 114.644 176.645 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -66.23 -30.76 71.27 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.089 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 19' ' ' HIS . 1.7 m -81.39 153.51 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 172.727 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 74.79 -65.42 0.34 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.738 1.615 . . . . 0.0 108.539 -175.408 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 CA--C 1.535 0.367 0 C-N-CA 128.172 2.589 . . . . 0.0 112.409 -177.514 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 N--CA 1.457 -0.119 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -107.38 142.21 37.55 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.317 1.047 . . . . 0.0 109.578 -178.798 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -19.16 34.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.748 0.819 . . . . 0.0 112.645 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.34 -53.93 4.5 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.132 -0.98 . . . . 0.0 111.177 179.177 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.7 -16.99 62.84 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.749 0.774 . . . . 0.0 110.309 178.498 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -164.3 121.36 1.66 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 176.6 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -77.21 58.93 1.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.493 -0.754 . . . . 0.0 112.588 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -89.5 136.29 33.12 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 174.27 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -83.38 120.31 25.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.617 0.767 . . . . 0.0 111.387 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 16' ' ' LEU . 92.9 m-85 -111.9 142.52 44.19 Favored 'General case' 0 C--O 1.228 -0.062 0 C-N-CA 124.431 1.093 . . . . 0.0 109.74 178.67 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.39 -34.57 69.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -153.95 167.67 28.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.483 0.659 . . . . 0.0 112.514 -178.761 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -52.9 -40.41 63.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.351 1.46 . . . . 0.0 110.48 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -56.82 -54.77 42.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.707 -0.621 . . . . 0.0 110.052 178.049 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.28 88.3 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -56.31 -52.27 65.15 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.659 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -58.27 -45.18 88.35 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.851 -0.531 . . . . 0.0 110.3 -179.464 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -58.3 -44.24 88.45 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.783 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -62.24 -36.41 81.94 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.366 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -63.13 0.88 0.53 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.725 2.057 . . . . 0.0 114.654 174.82 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -59.85 -32.96 71.18 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 168.224 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.6 t -77.74 142.86 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 C-N-CA 128.482 2.713 . . . . 0.0 106.339 175.447 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 -70.74 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 127.229 2.212 . . . . 0.0 113.572 178.099 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 124.058 0.943 . . . . 0.0 111.708 -174.329 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -101.29 130.37 47.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.668 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -12.58 61.6 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.56 -55.39 4.42 Favored Glycine 0 CA--C 1.526 0.781 0 O-C-N 120.91 -1.119 . . . . 0.0 111.706 178.112 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.24 -28.81 67.55 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.703 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.23 108.12 2.97 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 103.312 -2.848 . . . . 0.0 103.312 175.673 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.37 56.41 1.07 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -174.925 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -77.15 123.9 27.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.633 -2.729 . . . . 0.0 103.633 173.837 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -76.25 90.27 3.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.106 0.562 . . . . 0.0 112.332 -176.966 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -78.42 132.71 37.43 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.5 t -60.84 -40.59 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 C-N-CA 124.458 1.103 . . . . 0.0 112.085 -178.204 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -126.74 157.45 39.09 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.41 0.684 . . . . 0.0 112.448 -177.682 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -24.07 67.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.106 176.578 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -64.75 -57.12 9.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 178.858 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.35 -43.95 71.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.701 177.361 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -54.17 50.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.063 0.545 . . . . 0.0 109.734 178.289 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -56.5 -45.0 81.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.754 -0.591 . . . . 0.0 109.995 -179.573 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -57.84 -45.95 85.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.065 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.62 -35.14 73.77 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.521 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -64.12 1.76 0.66 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 121.867 2.121 . . . . 0.0 114.909 174.968 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.5 mtp85 -60.89 -30.58 70.25 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 168.02 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.25 17.2 t -79.55 144.54 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 C-N-CA 127.857 2.463 . . . . 0.0 106.606 176.141 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.71 -46.65 0.39 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 176.002 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 125.032 1.333 . . . . 0.0 113.843 -171.399 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 C--O 1.233 0.217 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -140.04 154.22 47.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.835 1.654 . . . . 0.0 106.969 177.775 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.59 -33.07 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.01 -49.35 3.99 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -75.02 1.45 12.96 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 117.494 0.647 . . . . 0.0 110.365 176.575 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.1 p -179.35 153.37 0.58 Allowed 'General case' 0 N--CA 1.44 -0.972 1 C-N-CA 131.969 4.108 . . . . 0.0 101.71 177.228 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -102.72 40.4 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.573 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -72.68 141.82 48.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 172.825 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 t -95.85 142.23 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.014 0.526 . . . . 0.0 110.03 -178.912 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.747 ' CD1' HD12 ' A' ' 16' ' ' LEU . 53.6 m-85 -142.61 132.0 23.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.981 0.512 . . . . 0.0 111.921 -177.828 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -84.42 -42.63 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.394 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.47 114.7 25.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.057 1.343 . . . . 0.0 110.608 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.99 73.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.353 0.261 . . . . 0.0 110.482 178.186 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.2 -48.82 79.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.955 0.902 . . . . 0.0 110.404 178.902 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.14 84.86 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -61.68 -44.42 96.97 Favored 'General case' 0 N--CA 1.437 -1.116 0 O-C-N 121.947 -0.471 . . . . 0.0 111.604 178.972 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -53.92 -47.38 71.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.587 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -65.32 -32.0 73.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.477 176.679 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -67.85 -28.25 67.38 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.179 0.9 . . . . 0.0 110.162 -176.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -51.82 -25.35 7.57 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.132 178.015 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -43.15 -34.63 1.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.206 1.002 . . . . 0.0 112.836 178.097 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.85 -30.49 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.203 0.911 . . . . 0.0 112.493 -179.542 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -105.92 -57.12 2.09 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.681 1.193 . . . . 0.0 110.758 -177.268 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 tptt . . . . . 0 N--CA 1.446 -0.638 0 C-N-CA 129.757 3.223 . . . . 0.0 112.294 -177.426 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 146.58 35.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.653 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.2 -51.12 5.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.871 0.868 . . . . 0.0 111.4 -178.825 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.34 -50.07 0.81 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.45 -20.23 60.76 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.851 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 p -161.58 -157.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 102.621 -3.103 . . . . 0.0 102.621 175.888 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -165.78 111.61 0.88 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.967 1.307 . . . . 0.0 108.612 -178.763 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 47.4 mtp180 -136.58 146.81 46.54 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.678 1.991 . . . . 0.0 105.862 178.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -71.94 64.23 0.5 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -173.801 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HD2' HD12 ' A' ' 16' ' ' LEU . 42.7 m-85 -78.77 83.36 4.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.284 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 p -41.06 -36.92 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 126.647 1.979 . . . . 0.0 114.457 -177.271 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -118.62 138.04 52.86 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.028 0.931 . . . . 0.0 110.571 179.558 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -48.61 -39.57 24.46 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.284 1.034 . . . . 0.0 112.221 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -55.15 -44.8 75.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.703 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.63 78.78 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.495 HD12 ' HD2' ' A' ' 10' ' ' PHE . 1.6 tt -74.52 -40.83 61.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 O-C-N 121.461 -0.774 . . . . 0.0 110.453 -179.642 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -51.82 -45.33 63.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.658 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -65.87 -38.92 90.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.587 175.279 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CG ' ' CE2' ' A' ' 10' ' ' PHE . 32.7 t60 -59.34 -30.63 68.51 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 120.838 1.654 . . . . 0.0 112.092 -178.798 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -55.19 -11.81 0.81 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.247 0.93 . . . . 0.0 113.04 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -47.27 -39.23 13.95 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.591 1.087 . . . . 0.0 109.759 173.024 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.69 -23.91 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.088 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.47 89.55 0.84 Allowed 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.409 1.083 . . . . 0.0 110.776 -179.206 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 CA--C 1.536 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 111.071 -179.945 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -89.69 139.32 30.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.149 0.58 . . . . 0.0 111.153 -178.662 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.24 -27.5 60.8 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.242 0.617 . . . . 0.0 112.113 178.483 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.26 -55.01 4.81 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -178.873 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.29 -34.22 72.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.506 0.653 . . . . 0.0 109.999 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.0 p -151.13 80.41 1.31 Allowed 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 178.125 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -48.75 63.17 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.114 3.366 . . . . 0.0 117.694 -174.268 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -95.62 142.93 27.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 173.529 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -88.17 112.56 22.87 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.268 1.427 . . . . 0.0 111.123 -177.874 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 86.4 m-85 -99.32 140.23 33.79 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.902 0.881 . . . . 0.0 112.366 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.2 55.44 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 129.93 3.292 . . . . 0.0 109.414 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 113.58 150.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 131.455 3.902 . . . . 0.0 113.222 176.687 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -53.83 -32.02 51.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.19 173.979 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.55 -45.92 63.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.696 1.598 . . . . 0.0 111.093 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.71 59.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' A' ' 10' ' ' PHE . 3.6 tp -59.97 -35.94 76.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.514 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -50.86 -41.01 57.57 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.611 -0.68 . . . . 0.0 109.255 177.865 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -76.43 -30.58 57.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.714 0.805 . . . . 0.0 109.824 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 16' ' ' LEU . 81.4 t60 -66.35 -39.63 89.31 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 119.903 1.229 . . . . 0.0 109.552 179.541 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -53.24 -25.43 14.2 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 120.136 1.335 . . . . 0.0 112.842 179.12 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -47.25 -32.42 4.55 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.538 1.063 . . . . 0.0 111.058 176.662 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.79 -33.77 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 127.326 2.25 . . . . 0.0 111.905 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.86 -58.6 2.12 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.343 1.457 . . . . 0.0 109.328 -177.637 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 N--CA 1.446 -0.663 0 C-N-CA 131.508 3.923 . . . . 0.0 115.098 179.437 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.438 ' HB3' HD13 ' A' ' 16' ' ' LEU . 2.7 m-30 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 123.61 24.22 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.05 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -18.13 29.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.283 1.033 . . . . 0.0 109.111 178.711 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.99 -54.87 1.34 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 106.355 -2.698 . . . . 0.0 106.355 -179.088 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mp -76.1 -30.39 58.25 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.37 -144.02 0.14 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 176.634 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -174.41 135.36 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.923 2.089 . . . . 0.0 107.26 -175.373 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.427 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 mpt_? -150.89 146.19 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.481 1.513 . . . . 0.0 109.709 176.615 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -75.69 56.52 0.92 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.683 1.193 . . . . 0.0 113.592 -177.761 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' A' ' 16' ' ' LEU . 85.5 m-85 -75.65 -39.41 57.74 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.956 -0.465 . . . . 0.0 110.587 178.229 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.257 0.3 OUTLIER 70.62 -30.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.824 2.85 . . . . 0.0 112.651 -177.711 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.64 105.96 16.59 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.91 1.684 . . . . 0.0 108.569 176.518 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -44.23 -43.85 7.52 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.333 1.453 . . . . 0.0 112.297 177.554 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -62.66 -48.76 77.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.952 0.501 . . . . 0.0 110.544 -179.241 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.32 78.33 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -57.65 -55.54 33.51 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.652 178.054 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -54.13 -40.97 67.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 109.044 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.93 -29.6 70.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -62.89 -44.32 96.4 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 119.442 1.019 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.58 -19.25 0.55 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -48.42 -37.97 18.48 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.852 1.206 . . . . 0.0 108.289 173.661 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.63 -34.42 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 128.064 2.546 . . . . 0.0 113.435 177.863 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.9 65.18 0.65 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.334 1.454 . . . . 0.0 108.552 179.526 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.543 1.137 . . . . 0.0 110.002 -179.398 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -61.84 120.88 11.59 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -85.11 124.87 32.28 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.55 -22.67 22.75 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.896 1.678 . . . . 0.0 114.489 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.92 -53.71 4.62 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.5 mt -70.15 -36.62 74.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.392 0.596 . . . . 0.0 109.898 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.13 8.33 2.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 38.59 25.73 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.52 131.17 45.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 174.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -79.37 92.92 5.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.659 1.184 . . . . 0.0 112.806 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -83.43 112.78 20.25 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -47.68 -36.48 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 124.684 1.194 . . . . 0.0 114.01 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.33 143.48 50.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.164 0.986 . . . . 0.0 111.399 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.8 -28.86 69.76 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.103 0.961 . . . . 0.0 111.531 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -52.22 66.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.03 92.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.85 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.22 -50.78 72.36 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 118.645 0.657 . . . . 0.0 109.463 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -55.68 -52.9 62.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -44.97 78.44 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.632 0.773 . . . . 0.0 110.234 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -56.59 -29.79 62.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.974 0.91 . . . . 0.0 111.049 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -56.65 -18.49 12.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 120.739 1.608 . . . . 0.0 113.859 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -29.31 15.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 121.116 1.78 . . . . 0.0 110.647 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.52 -24.98 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 127.675 2.39 . . . . 0.0 112.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -133.16 -48.57 0.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.727 0.811 . . . . 0.0 112.231 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 41.84 43.82 2.66 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 129.233 3.013 . . . . 0.0 112.635 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.61 31.85 15.92 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.415 1.086 . . . . 0.0 111.734 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 O-C-N 121.145 -0.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.015 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -78.33 117.56 19.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -84.73 120.66 26.66 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 t -65.58 113.18 4.02 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.71 -34.65 3.9 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.927 0.785 . . . . 0.0 114.083 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.1 mt -82.01 -18.65 42.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.7 p -159.41 18.54 0.17 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.096 1.771 . . . . 0.0 114.945 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 33.46 34.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 130.454 3.502 . . . . 0.0 118.269 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -75.25 136.48 40.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 104.592 -2.373 . . . . 0.0 104.592 173.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -81.74 98.73 8.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.213 1.405 . . . . 0.0 112.445 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 90.5 m-85 -85.81 141.02 29.95 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.352 0.661 . . . . 0.0 111.595 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 p -53.72 -40.83 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 C-N-CA 126.859 2.064 . . . . 0.0 112.989 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.08 163.27 40.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.802 0.728 . . . . 0.0 111.492 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -53.03 -32.48 47.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.247 1.419 . . . . 0.0 113.17 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 p -63.37 -58.71 6.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.39 69.6 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.664 0.786 . . . . 0.0 109.839 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.62 -56.26 24.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.27 0.628 . . . . 0.0 109.746 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -55.04 -50.46 69.03 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.047 0.539 . . . . 0.0 109.892 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -58.59 -43.41 89.48 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.951 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.0 t60 -58.29 -28.26 64.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.082 -176.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -51.52 -26.49 8.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.184 0.902 . . . . 0.0 111.961 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -43.28 -34.88 1.29 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.252 1.021 . . . . 0.0 113.531 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -62.91 -33.07 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 119.136 0.88 . . . . 0.0 111.66 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -100.1 -53.74 3.06 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.383 1.073 . . . . 0.0 110.395 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? 41.6 44.89 2.75 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 129.172 2.989 . . . . 0.0 111.598 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -68.62 127.31 32.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.751 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 122.064 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -74.26 125.51 28.59 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -93.3 127.05 38.73 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -62.68 114.34 3.54 Favored 'General case' 0 C--O 1.224 -0.274 0 O-C-N 121.774 -0.579 . . . . 0.0 110.254 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.95 5.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 118.912 0.778 . . . . 0.0 113.656 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.16 -20.82 47.53 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.6 p -156.82 19.08 0.32 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.417 1.917 . . . . 0.0 114.917 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 31.04 41.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 130.013 3.325 . . . . 0.0 117.546 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -82.14 139.46 34.35 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 171.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -84.23 125.0 31.81 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 112.394 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.5 m-85 -121.43 121.84 38.45 Favored 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 125.117 1.367 . . . . 0.0 107.663 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.6 -37.97 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -115.81 148.08 40.28 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.946 0.879 . . . . 0.0 112.615 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.03 -36.37 72.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.033 1.333 . . . . 0.0 110.199 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.28 66.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.689 0.795 . . . . 0.0 108.95 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.59 96.5 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.83 -53.85 53.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 118.466 0.576 . . . . 0.0 109.622 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -57.16 -50.2 73.57 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.463 0.705 . . . . 0.0 109.942 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -62.04 -36.52 81.85 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.274 -0.266 . . . . 0.0 111.113 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 32.0 t60 -61.5 -27.93 68.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.647 -0.658 . . . . 0.0 111.261 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -51.65 -25.94 8.1 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.125 0.875 . . . . 0.0 112.284 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -47.77 -30.18 3.73 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.89 0.876 . . . . 0.0 113.044 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.02 -34.37 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 119.992 1.269 . . . . 0.0 111.149 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -95.29 -55.2 3.14 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 124.085 0.954 . . . . 0.0 109.551 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.53 32.2 0.14 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 129.533 3.133 . . . . 0.0 114.27 -176.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -78.43 65.69 3.8 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.424 -0.798 . . . . 0.0 110.209 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 O-C-N 121.941 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.043 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -72.76 113.78 10.18 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -101.52 141.33 34.54 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.858 0.863 . . . . 0.0 110.262 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.5 t -67.39 116.27 7.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.809 0.844 . . . . 0.0 109.603 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.74 -35.48 38.67 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 117.87 0.305 . . . . 0.0 112.372 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -79.29 -12.4 59.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.581 0.752 . . . . 0.0 112.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.324 25.5 p -155.01 -99.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.733 1.151 . . . . 0.0 111.407 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -164.52 -125.25 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.727 1.603 . . . . 0.0 108.888 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 60.76 119.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.954 2.102 . . . . 0.0 112.562 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p -78.56 97.38 5.74 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 120.66 -1.275 . . . . 0.0 109.524 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 82.3 m-85 -82.3 -39.43 22.92 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 122.877 0.471 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 70.6 -32.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 113.729 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.34 123.22 43.44 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.463 1.505 . . . . 0.0 108.74 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -57.75 -31.78 66.82 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.576 0.351 . . . . 0.0 111.048 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 p -64.59 -53.48 47.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.79 87.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.112 0.565 . . . . 0.0 109.682 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.68 -54.97 39.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.087 0.955 . . . . 0.0 109.574 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -56.29 -46.6 79.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.53 0.732 . . . . 0.0 110.563 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -64.75 -36.54 84.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.063 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.2 t60 -62.74 -29.68 70.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.427 1.012 . . . . 0.0 110.903 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -51.18 -26.54 7.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.734 -1.127 . . . . 0.0 113.878 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -46.33 -31.48 2.6 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.68 1.127 . . . . 0.0 113.635 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -60.18 -33.92 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.198 0.908 . . . . 0.0 111.427 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -101.22 -50.46 3.77 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.704 1.202 . . . . 0.0 110.256 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? 45.79 30.59 0.87 Allowed 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 129.581 3.152 . . . . 0.0 113.794 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 62.42 -63.31 0.1 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.991 2.117 . . . . 0.0 113.808 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 O-C-N 121.598 -0.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -65.34 125.06 23.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -93.96 133.09 37.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.265 1.026 . . . . 0.0 108.953 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.99 -49.07 73.93 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.87 -49.9 1.39 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.83 -18.55 62.07 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 p -157.8 -162.43 1.17 Allowed 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.79 102.33 2.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.622 0.725 . . . . 0.0 110.668 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -139.18 128.0 23.46 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -79.48 93.96 5.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.905 0.882 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 76.9 m-85 -80.2 135.64 36.31 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.961 0.41 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.44 -36.96 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 125.459 1.503 . . . . 0.0 114.017 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.85 164.14 36.15 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.012 0.824 . . . . 0.0 112.321 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -51.42 -40.51 59.49 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.772 1.229 . . . . 0.0 111.21 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -51.97 67.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.052 0.941 . . . . 0.0 110.101 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.43 93.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.294 0.637 . . . . 0.0 110.176 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.57 -52.46 63.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.381 1.072 . . . . 0.0 109.856 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 t -57.09 -53.02 62.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.326 1.051 . . . . 0.0 108.282 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -43.27 74.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.041 0.536 . . . . 0.0 109.57 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 37.4 t60 -58.79 -29.27 66.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.365 0.529 . . . . 0.0 111.596 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -53.24 -25.0 12.67 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.452 1.023 . . . . 0.0 111.961 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -44.72 -33.86 2.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.025 0.93 . . . . 0.0 112.782 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -65.53 -32.79 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 119.231 0.923 . . . . 0.0 112.327 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -100.93 -53.08 3.14 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.081 0.953 . . . . 0.0 110.759 -176.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? 32.51 52.51 0.28 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 130.141 3.376 . . . . 0.0 111.742 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 44.55 34.07 1.04 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.495 1.518 . . . . 0.0 113.925 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.15 0 O-C-N 121.483 -0.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -78.54 146.08 34.48 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -147.61 150.39 34.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -98.6 124.09 43.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.669 1.588 . . . . 0.0 109.371 -179.398 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.52 55.64 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.267 0.461 . . . . 0.0 113.175 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -75.39 -19.36 59.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.25 0.62 . . . . 0.0 112.294 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.4 p -165.64 105.04 0.71 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.92 58.01 0.07 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -82.53 132.66 35.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 p -81.92 101.89 10.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.306 1.042 . . . . 0.0 111.172 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.709 ' CD2' HD23 ' A' ' 16' ' ' LEU . 88.7 m-85 -97.0 126.01 41.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.41 1.084 . . . . 0.0 109.576 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.44 -27.6 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.31 151.38 48.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.761 0.791 . . . . 0.0 112.799 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.01 -40.82 86.08 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.399 1.48 . . . . 0.0 111.463 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.28 -54.7 40.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.162 1.385 . . . . 0.0 109.46 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.89 66.47 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.753 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.709 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.5 tm? -59.55 -43.94 93.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 120.952 0.406 . . . . 0.0 111.621 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 m -58.66 -43.63 89.93 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -63.64 -39.44 94.36 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -58.39 -35.58 72.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.521 -0.737 . . . . 0.0 110.709 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -55.07 -14.17 1.47 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -56.21 -26.57 51.55 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.782 1.628 . . . . 0.0 110.939 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.52 -25.39 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 119.968 1.258 . . . . 0.0 111.182 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 82.56 1.13 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.362 1.465 . . . . 0.0 108.149 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -71.09 64.91 0.36 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.612 1.565 . . . . 0.0 111.089 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -77.17 -35.63 55.77 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 125.678 1.591 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.162 0 O-C-N 121.867 -0.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.034 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -124.63 138.89 54.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.752 1.221 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -100.91 133.36 45.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.474 0.71 . . . . 0.0 109.141 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -73.0 109.97 6.93 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.114 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 -39.0 3.96 Favored Glycine 0 CA--C 1.534 1.277 0 CA-C-N 118.762 0.71 . . . . 0.0 113.924 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.83 -20.84 57.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 p -154.92 15.12 0.42 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.265 1.848 . . . . 0.0 114.988 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 43.72 17.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 129.557 3.143 . . . . 0.0 117.635 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -63.85 138.64 58.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 173.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.5 m -93.15 116.87 29.44 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.275 1.03 . . . . 0.0 110.053 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.56 126.05 51.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.538 1.535 . . . . 0.0 109.044 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.75 -33.1 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.555 1.542 . . . . 0.0 114.051 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.75 155.22 44.11 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.528 0.68 . . . . 0.0 111.116 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.49 -33.66 66.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.312 1.045 . . . . 0.0 110.806 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -53.48 57.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.397 0.679 . . . . 0.0 109.541 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.6 99.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.21 -53.83 51.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 109.801 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 m -58.03 -52.68 64.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.58 -37.38 70.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -67.03 -25.68 66.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.309 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -51.32 -27.43 9.56 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.507 1.049 . . . . 0.0 113.67 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -41.75 -35.87 0.88 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.264 1.026 . . . . 0.0 113.619 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -62.61 -31.47 52.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 118.99 0.813 . . . . 0.0 112.197 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -103.76 -53.71 2.71 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.804 1.241 . . . . 0.0 109.864 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 tttp 47.05 48.39 15.6 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 128.92 2.888 . . . . 0.0 111.193 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.02 -45.75 0.09 Allowed 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 123.612 0.765 . . . . 0.0 110.094 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 118.081 0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -77.23 148.81 35.62 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -132.62 145.61 51.23 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -26.76 52.22 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 112.471 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.68 -51.79 3.79 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.31 -0.869 . . . . 0.0 111.765 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.38 -24.43 64.78 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 117.798 0.799 . . . . 0.0 109.737 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.9 p -150.55 108.85 3.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.0 59.27 0.16 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -173.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -93.68 141.78 28.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -90.27 118.4 29.75 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 124.061 0.944 . . . . 0.0 110.615 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CD2' HD23 ' A' ' 16' ' ' LEU . 94.4 m-85 -108.46 120.75 43.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.186 1.394 . . . . 0.0 109.521 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.69 -33.31 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.779 -0.191 . . . . 0.0 111.504 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -125.75 138.52 53.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.145 0.978 . . . . 0.0 111.354 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.16 -27.23 68.81 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.835 0.854 . . . . 0.0 112.389 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -59.96 -58.21 9.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.716 1.206 . . . . 0.0 108.637 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -47.86 68.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.475 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.664 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.5 tm? -59.56 -48.68 80.71 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 122.208 -0.308 . . . . 0.0 111.402 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -56.35 -46.66 79.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.9 tpt85 -60.14 -37.83 81.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.526 0.33 . . . . 0.0 110.113 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -65.58 -36.3 83.36 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.917 0.887 . . . . 0.0 108.908 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -57.48 -15.2 6.31 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 121.137 1.789 . . . . 0.0 114.133 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -57.04 -26.18 59.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 121.398 1.908 . . . . 0.0 110.018 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.23 -33.94 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 126.737 2.015 . . . . 0.0 110.475 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.03 74.54 0.72 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.787 1.235 . . . . 0.0 108.89 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 66.52 2.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.096 0.958 . . . . 0.0 110.42 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.71 67.05 0.77 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.553 1.141 . . . . 0.0 110.23 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 O-C-N 121.518 -0.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -117.8 149.0 41.54 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 127.605 2.362 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -112.54 134.17 54.21 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -24.23 65.85 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.18 -49.92 4.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 120.936 -1.103 . . . . 0.0 111.432 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.84 -21.14 61.0 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.157 -0.613 . . . . 0.0 110.057 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 p -160.34 120.86 2.93 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.36 65.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.414 1.085 . . . . 0.0 113.344 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -104.23 146.23 29.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 m -92.97 126.03 37.85 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 123.249 0.619 . . . . 0.0 111.02 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' CD2' HD22 ' A' ' 16' ' ' LEU . 95.6 m-85 -118.4 118.57 32.12 Favored 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 124.564 1.146 . . . . 0.0 108.788 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.1 m -57.34 -36.26 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -132.97 157.1 46.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.066 0.936 . . . . 0.0 112.37 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.24 -22.84 66.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.373 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -63.95 -62.34 1.7 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -45.02 30.05 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.391 0.676 . . . . 0.0 109.959 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -57.36 -56.59 19.88 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.329 0.652 . . . . 0.0 111.023 178.403 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -51.83 -46.78 64.47 Favored 'General case' 0 C--N 1.34 0.152 0 O-C-N 122.095 -0.378 . . . . 0.0 110.6 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -65.99 -40.21 91.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -60.1 -37.02 78.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.566 -0.709 . . . . 0.0 111.485 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -47.37 -30.94 3.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -49.22 -24.7 1.86 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.21 -35.13 74.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 120.384 1.447 . . . . 0.0 111.092 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -99.76 -47.14 5.17 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.55 1.14 . . . . 0.0 110.691 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt 76.66 12.83 2.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 130.208 3.403 . . . . 0.0 112.0 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.14 -39.43 11.59 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.639 1.176 . . . . 0.0 109.375 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.12 0 O-C-N 122.203 -0.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -66.01 130.28 42.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -96.49 124.34 40.45 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -21.82 65.2 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 -50.9 4.26 Favored Glycine 0 CA--C 1.527 0.808 0 O-C-N 121.052 -1.03 . . . . 0.0 111.402 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -67.97 -25.37 65.4 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.6 p -157.17 118.63 3.71 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 102.277 -3.231 . . . . 0.0 102.277 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.06 49.96 0.2 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 ttt-85 -89.05 144.65 25.99 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -86.42 129.53 34.82 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.683 1.193 . . . . 0.0 112.015 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CD1' ' CD2' ' A' ' 16' ' ' LEU . 82.8 m-85 -123.48 135.7 54.2 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 124.665 1.186 . . . . 0.0 109.234 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -79.21 -32.21 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.79 154.62 50.09 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.608 0.718 . . . . 0.0 112.612 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -57.91 -43.56 86.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.895 0.878 . . . . 0.0 110.723 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -54.65 -41.44 70.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.89 0.876 . . . . 0.0 111.02 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.05 88.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' CD2' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.57 -51.24 70.27 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 123.138 0.575 . . . . 0.0 109.612 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 m -50.41 -52.94 33.2 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.207 1.003 . . . . 0.0 109.391 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -62.36 -44.96 95.25 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -55.85 -36.25 67.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.947 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -52.16 -25.39 8.87 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 121.178 1.808 . . . . 0.0 113.655 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -49.93 -30.47 10.33 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.535 1.061 . . . . 0.0 111.083 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.95 -36.64 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.917 2.087 . . . . 0.0 111.933 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -109.59 -52.74 2.74 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 124.275 1.03 . . . . 0.0 109.955 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt 42.52 54.22 4.48 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 128.633 2.773 . . . . 0.0 111.292 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -72.07 58.87 0.37 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.499 1.12 . . . . 0.0 112.662 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.189 0 O-C-N 121.157 -0.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -82.98 126.26 32.32 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -110.71 145.41 38.07 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.429 0.691 . . . . 0.0 111.058 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HA ' HD21 ' A' ' 16' ' ' LEU . 11.9 t -78.35 -25.34 46.31 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 126.052 1.741 . . . . 0.0 113.644 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.28 -52.13 4.02 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 121.229 -0.919 . . . . 0.0 111.007 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.48 -38.01 83.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 p -146.89 86.71 1.66 Allowed 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.46 59.07 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.838 2.855 . . . . 0.0 118.01 -174.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -84.25 127.39 33.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -84.47 96.13 9.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.925 0.49 . . . . 0.0 110.936 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.644 ' CD2' HD23 ' A' ' 16' ' ' LEU . 91.9 m-85 -84.87 137.1 33.35 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.03 -41.82 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 C-N-CA 124.152 0.981 . . . . 0.0 110.539 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -120.96 146.86 46.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.203 1.001 . . . . 0.0 111.573 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -60.56 -35.54 76.31 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -51.88 58.68 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.756 0.822 . . . . 0.0 110.527 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.84 63.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.59 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.644 HD23 ' CD2' ' A' ' 10' ' ' PHE . 2.7 tm? -54.39 -46.55 73.12 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 111.801 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -60.54 -53.61 55.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -56.27 -39.67 73.0 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -60.72 -30.76 70.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.064 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -50.53 -32.94 19.81 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 119.938 1.245 . . . . 0.0 112.979 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -36.02 -37.79 0.12 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 114.331 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 m -56.61 -40.47 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.717 0.689 . . . . 0.0 111.668 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -102.17 -50.54 3.61 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.447 1.099 . . . . 0.0 109.22 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 59.18 1.12 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.294 1.438 . . . . 0.0 108.778 -176.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -64.54 -37.74 88.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.605 1.162 . . . . 0.0 111.127 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.192 0 O-C-N 121.889 -0.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -69.38 112.71 6.1 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.46 148.0 26.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.752 1.221 . . . . 0.0 108.989 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.96 -62.97 1.43 Allowed 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.77 -52.52 0.72 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 109.326 -1.509 . . . . 0.0 109.326 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -15.67 60.82 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -159.83 -164.07 1.26 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 101.808 -3.404 . . . . 0.0 101.808 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.31 106.05 1.73 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.495 -0.753 . . . . 0.0 112.267 -176.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.07 132.98 32.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -74.91 86.57 2.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.188 0.595 . . . . 0.0 110.864 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.36 143.38 44.89 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 m -71.12 -31.96 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.25 153.83 46.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.318 0.58 . . . . 0.0 112.293 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -55.25 -37.1 66.78 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.928 0.891 . . . . 0.0 110.707 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -51.0 63.86 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.258 1.023 . . . . 0.0 110.243 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.63 91.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.249 1.02 . . . . 0.0 110.088 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -46.4 83.3 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.296 1.039 . . . . 0.0 110.052 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -59.76 -54.31 47.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.51 -46.57 70.15 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -55.86 -28.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.081 -0.961 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -59.32 -25.03 63.81 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 121.536 1.971 . . . . 0.0 112.331 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -26.36 5.42 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.148 1.34 . . . . 0.0 111.435 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.87 -37.17 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 C-N-CA 126.987 2.115 . . . . 0.0 111.388 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -124.37 -7.95 7.54 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.863 1.265 . . . . 0.0 114.264 -176.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -68.32 71.72 0.19 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.741 1.216 . . . . 0.0 111.589 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -69.22 69.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.662 1.585 . . . . 0.0 109.962 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 O-C-N 121.638 -0.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.02 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -72.1 132.97 44.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -114.06 148.79 36.49 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.104 0.962 . . . . 0.0 112.847 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.39 111.77 24.07 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 174.577 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.59 -35.63 11.33 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.281 0.467 . . . . 0.0 114.015 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.6 mt -77.68 -21.23 52.37 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.454 0.702 . . . . 0.0 112.871 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -165.02 93.25 0.61 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.84 61.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -172.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.3 134.14 42.58 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -79.51 87.5 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.643 1.177 . . . . 0.0 111.29 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.53 ' CD2' HD23 ' A' ' 16' ' ' LEU . 86.0 m-85 -84.92 120.58 26.65 Favored 'General case' 0 C--O 1.228 -0.042 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.97 -34.07 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.313 0.645 . . . . 0.0 112.263 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 142.64 51.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.372 1.069 . . . . 0.0 110.426 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -60.24 -31.15 69.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.464 0.705 . . . . 0.0 112.304 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 m -53.76 -48.43 69.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.645 0.778 . . . . 0.0 111.302 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.77 70.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' A' ' 10' ' ' PHE . 2.9 tm? -53.99 -43.61 70.14 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.014 0.925 . . . . 0.0 110.748 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 m -61.75 -55.57 28.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -57.14 -34.23 68.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.314 0.246 . . . . 0.0 110.781 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -61.62 -25.04 67.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 109.233 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -65.77 -1.51 2.9 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 121.739 2.063 . . . . 0.0 113.115 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.4 -29.66 69.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.259 21.8 t -79.59 138.13 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.362 0 N-CA-C 103.527 -2.768 . . . . 0.0 103.527 172.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 72.41 -49.1 0.69 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttp 46.68 41.81 10.61 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 127.156 2.182 . . . . 0.0 112.453 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 56.97 27.47 13.24 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.092 0.957 . . . . 0.0 111.572 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.06 0 O-C-N 120.897 -1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -78.7 177.6 8.51 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 120.067 -1.646 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.85 79.6 1.61 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.143 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.98 -29.55 65.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.796 0.438 . . . . 0.0 110.26 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 -51.11 4.52 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.04 -16.4 62.04 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 p -171.47 -175.28 1.58 Allowed 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 103.241 -2.874 . . . . 0.0 103.241 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -150.65 105.5 3.3 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 127.342 2.257 . . . . 0.0 107.588 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 80.2 mtp180 -134.95 154.38 51.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.241 1.417 . . . . 0.0 107.567 177.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -77.68 78.28 4.18 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 8' ' ' ARG . 54.8 m-85 -87.82 -37.78 16.26 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.101 0.96 . . . . 0.0 110.128 175.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.259 9.2 m 57.3 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 130.335 3.454 . . . . 0.0 117.051 178.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -132.25 131.56 42.2 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.502 1.121 . . . . 0.0 111.296 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -45.87 -35.8 4.81 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.244 1.818 . . . . 0.0 113.022 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -62.2 2.03 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.285 1.434 . . . . 0.0 109.431 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.87 87.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.711 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -58.37 -47.07 85.0 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.908 0.883 . . . . 0.0 110.336 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -58.69 -56.65 19.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -55.46 -38.92 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.387 -0.196 . . . . 0.0 110.624 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -59.92 -30.55 69.12 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.441 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.38 -27.62 10.43 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 119.836 1.198 . . . . 0.0 113.067 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -45.85 -31.39 2.09 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.016 0.826 . . . . 0.0 113.21 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.58 -30.79 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 119.869 1.213 . . . . 0.0 112.047 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -105.92 -54.9 2.41 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.374 1.07 . . . . 0.0 110.52 -177.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? 45.77 52.13 9.83 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 128.733 2.813 . . . . 0.0 110.366 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.0 t30 69.19 -57.24 0.53 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.28 1.832 . . . . 0.0 112.377 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 O-C-N 121.63 -0.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -73.82 143.48 45.93 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -118.7 125.37 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.34 66.12 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.553 0.741 . . . . 0.0 112.72 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.14 3.88 Favored Glycine 0 CA--C 1.527 0.827 0 O-C-N 121.301 -0.874 . . . . 0.0 111.516 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.28 -23.62 64.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.549 0.675 . . . . 0.0 109.353 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 p -155.81 114.61 3.49 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -71.77 61.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.402 1.481 . . . . 0.0 113.812 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -99.06 141.53 31.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 p -82.79 108.47 16.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.128 1.371 . . . . 0.0 111.794 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 69.4 m-85 -102.87 102.65 12.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.691 0.796 . . . . 0.0 109.793 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 p -44.62 -38.25 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 125.946 1.698 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -135.61 162.17 33.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.314 1.054 . . . . 0.0 112.33 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.04 -32.38 67.93 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.016 -1.447 . . . . 0.0 108.571 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 p -64.27 -54.76 28.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.26 69.0 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.031 0.932 . . . . 0.0 110.557 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -53.8 44.52 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.638 0.775 . . . . 0.0 109.448 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -53.69 -49.01 68.96 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.795 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -57.44 -45.09 85.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 76.2 t60 -59.53 -31.28 69.25 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.355 178.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.17 1.71 0.68 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 122.045 2.202 . . . . 0.0 114.324 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.63 -27.08 68.4 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 168.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 21.9 t -82.85 143.1 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 127.969 2.508 . . . . 0.0 104.921 174.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 72.24 -61.7 0.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.707 1.203 . . . . 0.0 112.537 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 56.29 33.43 22.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.099 2.16 . . . . 0.0 111.651 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -165.43 166.13 18.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 117.914 0.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -81.23 178.61 8.29 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.628 1.571 . . . . 0.0 111.752 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -74.69 77.15 2.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.487 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -24.77 66.7 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 176.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.36 -54.53 4.19 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.066 0.841 . . . . 0.0 111.038 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.84 -14.46 60.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.94 0.37 . . . . 0.0 111.518 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -172.0 159.49 5.05 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -132.24 92.4 3.09 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.993 2.117 . . . . 0.0 108.185 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 61.8 mtp180 -115.19 155.29 27.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -72.8 73.96 1.12 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 54.2 m-85 -85.0 -38.63 19.0 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.935 0.894 . . . . 0.0 110.551 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.339 2.5 p 53.34 -0.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 130.634 3.573 . . . . 0.0 118.472 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -138.09 138.64 38.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 125.348 1.459 . . . . 0.0 110.381 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.65 -35.52 66.05 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.408 1.083 . . . . 0.0 111.353 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -59.49 -61.43 2.63 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.455 1.102 . . . . 0.0 109.046 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -45.18 71.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.91 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -54.17 49.95 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 122.878 0.471 . . . . 0.0 109.814 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -54.21 -46.73 72.54 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -59.81 -44.0 94.22 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 16.7 t60 -60.25 -36.16 77.14 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.431 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -55.84 -9.76 0.63 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.95 1.25 . . . . 0.0 113.435 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -55.19 -33.26 62.86 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.982 1.264 . . . . 0.0 109.266 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.26 -32.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 118.911 0.778 . . . . 0.0 110.596 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.44 101.32 2.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.261 1.024 . . . . 0.0 110.713 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.5 72.89 1.91 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.304 1.041 . . . . 0.0 110.985 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -62.7 70.89 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.286 1.434 . . . . 0.0 112.366 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 O-C-N 121.115 -0.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -79.79 -178.96 6.67 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 120.081 -1.637 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.44 76.66 1.04 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.565 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -24.13 61.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.969 0.508 . . . . 0.0 110.387 176.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.31 -52.01 4.65 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.74 -20.69 58.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.72 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 p -163.67 -19.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 38.73 55.4 1.96 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -77.56 154.77 32.05 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -72.61 79.01 1.08 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.24 1.416 . . . . 0.0 113.738 -176.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 12' ' ' GLU . 71.6 m-85 -93.36 -41.94 9.57 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.124 0.57 . . . . 0.0 110.515 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.274 18.2 m 61.87 -23.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 1 C-N-CA 132.22 4.208 . . . . 0.0 114.441 -179.247 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 10' ' ' PHE . 2.7 tm-20 -93.09 112.41 24.36 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 127.611 2.364 . . . . 0.0 108.64 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -45.47 -55.36 6.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.718 1.207 . . . . 0.0 112.881 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.08 -51.93 48.47 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.105 0.411 . . . . 0.0 110.984 -177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -40.56 85.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.509 0.724 . . . . 0.0 110.41 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.32 -49.81 75.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 118.761 0.71 . . . . 0.0 109.819 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -47.85 84.35 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -54.78 -44.83 74.05 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.198 0.599 . . . . 0.0 109.62 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -58.13 -28.28 64.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.454 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -52.12 -28.23 17.05 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 120.418 1.463 . . . . 0.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -32.59 1.54 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.021 0.929 . . . . 0.0 113.228 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -63.17 -34.33 66.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 120.013 1.279 . . . . 0.0 111.889 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -101.57 -51.92 3.34 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 123.919 0.888 . . . . 0.0 110.606 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm 91.03 112.69 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 131.581 3.952 . . . . 0.0 107.654 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -71.33 55.21 0.22 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.566 1.146 . . . . 0.0 113.174 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.945 -1.097 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -54.37 117.72 3.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.739 1.215 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -82.78 121.3 26.72 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.09 108.73 3.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.58 -34.64 5.17 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-N 118.833 0.742 . . . . 0.0 113.508 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.2 mt -79.98 -19.85 46.88 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.0 p -159.45 21.38 0.18 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.159 1.8 . . . . 0.0 114.432 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.26 30.8 mt-10 35.34 23.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 131.139 3.776 . . . . 0.0 119.036 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -68.08 141.01 56.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -94.21 120.2 34.12 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.806 1.242 . . . . 0.0 109.05 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CD2' HD22 ' A' ' 16' ' ' LEU . 97.2 m-85 -109.91 138.89 45.65 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 124.692 1.197 . . . . 0.0 112.496 -177.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 m -47.03 -45.23 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.459 1.504 . . . . 0.0 113.089 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.74 162.23 41.11 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.976 0.417 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -32.97 45.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.842 0.857 . . . . 0.0 111.835 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -47.77 84.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.533 0.733 . . . . 0.0 109.759 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.0 92.88 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -58.96 -55.63 32.63 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.843 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.3 m -50.74 -49.72 57.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.239 1.015 . . . . 0.0 109.635 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -57.93 -47.59 82.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 22' ' ' VAL . 54.8 t60 -58.22 -44.61 88.29 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.583 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -50.46 -23.14 2.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -49.3 -29.49 6.06 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.204 1.366 . . . . 0.0 110.376 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.41 HG13 ' CG ' ' A' ' 23' ' ' HIS . 4.3 p -57.43 -38.26 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 128.249 2.619 . . . . 0.0 113.958 177.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' CG ' HG13 ' A' ' 22' ' ' VAL . 52.7 m-70 -109.6 -44.74 3.8 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.792 1.237 . . . . 0.0 110.134 -177.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER 44.41 57.57 4.3 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 129.917 3.287 . . . . 0.0 112.917 -177.04 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -146.35 165.51 29.09 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.588 1.555 . . . . 0.0 106.889 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 118.557 0.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -84.24 152.79 23.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -132.62 136.85 46.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.1 110.21 11.57 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.02 -36.3 2.62 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 123.699 0.666 . . . . 0.0 114.203 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -79.84 -19.95 47.17 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 p -151.52 10.56 0.57 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.845 1.657 . . . . 0.0 115.0 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 45.98 19.05 0.06 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 128.309 2.643 . . . . 0.0 116.602 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -66.65 143.38 57.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -89.34 142.65 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.339 0.656 . . . . 0.0 111.083 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CD1' HD22 ' A' ' 16' ' ' LEU . 94.1 m-85 -134.31 137.51 44.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.502 . . . . 0.0 109.878 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -48.78 63.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.314 1.046 . . . . 0.0 112.355 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.57 171.58 16.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.845 0.831 . . . . 0.0 112.954 -178.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -47.77 -41.42 23.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.318 1.847 . . . . 0.0 113.546 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -47.98 82.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.771 0.714 . . . . 0.0 110.103 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.85 99.64 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -58.84 -50.44 73.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.681 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.9 m -55.9 -52.62 63.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -54.45 -41.56 69.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.352 0.661 . . . . 0.0 110.334 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -58.76 -27.5 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.675 -0.679 . . . . 0.0 111.561 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -63.08 0.69 0.55 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.942 1.246 . . . . 0.0 113.01 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -32.93 64.3 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.45 146.01 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 73.2 -58.64 0.59 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.531 1.932 . . . . 0.0 110.662 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 tttm 61.32 53.24 3.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 126.013 1.725 . . . . 0.0 110.858 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -119.69 -45.82 2.49 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.237 1.015 . . . . 0.0 110.713 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 121.524 -0.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -74.44 101.97 4.3 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -79.89 128.86 33.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 t -56.71 -28.6 61.25 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.77 -54.3 4.4 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.96 -28.34 65.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.088 0.555 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 p -152.44 30.54 0.53 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.367 0.531 . . . . 0.0 110.555 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.256 23.1 mt-10 21.76 19.57 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 2 C-N-CA 132.415 4.286 . . . . 0.0 121.848 -179.92 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -59.2 134.12 56.71 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -98.29 111.26 23.66 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.586 1.155 . . . . 0.0 109.86 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.449 ' CD1' HD22 ' A' ' 16' ' ' LEU . 61.5 m-85 -102.39 139.11 38.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.562 1.145 . . . . 0.0 109.688 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.29 -42.13 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -115.54 147.83 40.23 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.616 0.766 . . . . 0.0 112.181 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.63 -31.48 70.67 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.881 0.872 . . . . 0.0 110.662 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -49.34 77.94 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.52 92.31 Favored 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.449 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -54.32 -52.12 62.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.309 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -56.76 -47.65 79.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.646 0.379 . . . . 0.0 110.683 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.37 -25.09 65.6 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.583 0.353 . . . . 0.0 110.593 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.426 ' O ' HG12 ' A' ' 22' ' ' VAL . 53.4 t60 -81.34 -52.19 7.56 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.875 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -45.74 -33.22 2.89 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -44.55 -29.99 0.82 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.108 0.867 . . . . 0.0 111.175 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.431 HG13 ' CG ' ' A' ' 23' ' ' HIS . 9.2 p -53.19 -42.7 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 127.548 2.339 . . . . 0.0 113.319 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' CG ' HG13 ' A' ' 22' ' ' VAL . 12.0 m-70 -110.52 -29.94 7.85 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.584 1.154 . . . . 0.0 111.895 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.61 65.68 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 126.953 2.101 . . . . 0.0 112.293 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 56.97 46.44 19.47 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.534 1.534 . . . . 0.0 109.898 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.168 0 O-C-N 121.733 -0.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -70.24 119.6 14.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -102.83 137.46 41.01 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.6 t -68.07 108.41 3.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.98 -33.72 3.77 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-N 118.888 0.767 . . . . 0.0 113.727 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.24 -21.84 45.64 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.67 18.79 0.46 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.994 1.725 . . . . 0.0 114.475 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 36.76 34.21 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.455 3.502 . . . . 0.0 118.483 178.33 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -81.46 140.31 34.69 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.049 -2.574 . . . . 0.0 104.049 173.031 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -84.71 136.4 33.74 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 124.047 0.939 . . . . 0.0 110.872 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.2 m-85 -121.71 -34.48 3.39 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER 72.58 -36.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 128.128 2.571 . . . . 0.0 112.704 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -102.53 122.56 44.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 126.966 2.106 . . . . 0.0 109.625 -179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -56.57 -39.21 73.09 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.695 0.398 . . . . 0.0 110.926 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.491 1.116 . . . . 0.0 110.535 178.279 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.54 -42.09 62.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.95 -48.42 75.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.772 0.829 . . . . 0.0 108.801 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 m -56.69 -55.78 29.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.368 1.067 . . . . 0.0 108.971 178.426 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -52.52 -44.74 65.94 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 78.7 t60 -60.6 -29.13 69.01 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.667 -178.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -59.71 -19.86 52.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 121.113 1.778 . . . . 0.0 112.443 177.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -52.5 -27.84 18.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.607 1.549 . . . . 0.0 110.708 177.235 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.6 -28.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 C-N-CA 126.929 2.091 . . . . 0.0 112.088 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -123.25 -55.3 1.77 Allowed 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.406 1.083 . . . . 0.0 111.434 -176.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 39.55 34.74 0.16 Allowed 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 130.766 3.626 . . . . 0.0 114.597 -178.118 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -98.57 -45.46 6.08 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.605 1.562 . . . . 0.0 109.638 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 121.784 -0.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -143.55 126.41 16.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -135.83 145.59 46.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 t -86.66 106.95 17.96 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 118.815 0.734 . . . . 0.0 110.514 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.57 7.47 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 118.096 0.407 . . . . 0.0 113.669 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.77 -20.3 50.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.109 -0.948 . . . . 0.0 113.448 -178.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.4 p -152.99 20.86 0.58 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.442 1.474 . . . . 0.0 114.445 -178.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.292 10.7 pt-20 44.61 2.27 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 130.363 3.465 . . . . 0.0 119.6 177.478 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -56.4 144.5 30.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 174.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 m -96.46 134.79 39.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.932 1.293 . . . . 0.0 108.751 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' HD22 ' A' ' 16' ' ' LEU . 85.3 m-85 -126.31 -24.94 3.58 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.921 0.889 . . . . 0.0 113.146 -176.768 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.348 1.6 p 46.76 25.75 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 117.022 2.231 . . . . 0.0 117.022 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -157.94 136.48 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 126.311 1.845 . . . . 0.0 108.121 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -66.85 -21.82 66.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.452 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -66.76 -64.06 0.93 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.77 -42.7 62.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.613 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.09 -54.08 49.07 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 118.588 0.631 . . . . 0.0 110.614 177.937 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -53.92 -46.2 71.41 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.794 -0.566 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -57.8 -48.8 78.68 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.182 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -58.39 -36.23 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.06 -11.66 3.84 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 121.378 1.899 . . . . 0.0 114.145 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -54.63 -29.48 52.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 120.87 1.668 . . . . 0.0 108.755 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.75 -36.43 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 127.144 2.178 . . . . 0.0 111.083 178.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.69 66.79 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -176.338 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -77.05 60.1 1.79 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.074 0.95 . . . . 0.0 109.96 177.575 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -75.96 68.18 2.42 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.234 0.614 . . . . 0.0 110.351 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 O-C-N 121.964 -0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -76.83 150.58 36.09 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -132.26 138.18 47.79 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.04 113.65 22.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.21 -10.43 2.68 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.3 mt -113.01 9.13 18.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.297 1.439 . . . . 0.0 112.208 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -148.98 -36.11 0.18 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.497 1.044 . . . . 0.0 112.522 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 72.44 16.07 5.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 127.965 2.506 . . . . 0.0 112.431 -177.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.1 143.04 52.53 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 174.13 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -89.88 131.65 35.69 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.389 0.676 . . . . 0.0 109.178 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 16' ' ' LEU . 96.5 m-85 -126.43 123.89 38.9 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.301 1.44 . . . . 0.0 109.245 -178.717 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.5 -39.3 85.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.086 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -115.8 148.68 39.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -63.87 -33.65 76.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 175.099 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -46.16 88.59 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.926 0.89 . . . . 0.0 109.247 176.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -57.45 -51.82 67.9 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.296 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -52.9 -48.75 66.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.421 0.689 . . . . 0.0 109.524 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.4 tpt85 -61.84 -39.05 90.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.931 0.493 . . . . 0.0 110.292 177.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -63.14 -29.31 70.69 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.509 -179.803 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -61.7 7.24 0.05 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 177.217 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -37.7 81.36 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 170.203 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.412 HG23 ' CE1' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -82.91 150.37 4.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 174.777 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.412 ' CE1' HG23 ' A' ' 22' ' ' VAL . 2.4 m-70 72.24 -59.41 0.56 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.771 . . . . 0.0 110.261 -176.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 tttm 58.36 58.73 3.29 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 110.673 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -72.02 68.99 0.71 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.204 1.002 . . . . 0.0 110.374 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 O-C-N 121.629 -0.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -119.21 148.22 43.36 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.167 1.387 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -134.13 148.3 50.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.21 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -27.4 44.16 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.428 0.691 . . . . 0.0 112.769 -177.264 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.64 -50.75 3.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 121.099 -1.001 . . . . 0.0 112.114 178.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.65 -24.25 65.43 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.721 0.761 . . . . 0.0 109.337 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.1 p -154.86 110.77 3.17 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 101.04 -3.689 . . . . 0.0 101.04 176.359 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.82 55.69 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -172.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -82.59 144.52 30.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 173.273 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.2 m -101.55 135.72 42.6 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.507 0.723 . . . . 0.0 109.809 -179.533 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.734 ' CD2' HD23 ' A' ' 16' ' ' LEU . 73.6 m-85 -129.37 139.06 51.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.597 1.559 . . . . 0.0 108.261 -178.343 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -43.44 51.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.851 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.91 154.4 37.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.837 0.855 . . . . 0.0 111.63 178.365 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -58.36 -31.8 67.95 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.121 1.368 . . . . 0.0 113.685 -179.178 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -58.31 -57.78 11.37 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.794 0.725 . . . . 0.0 111.743 -176.419 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.31 -46.07 80.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.678 0.791 . . . . 0.0 109.926 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.734 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.6 tm? -61.3 -50.22 73.85 Favored 'General case' 0 N--CA 1.437 -1.076 0 O-C-N 122.271 -0.268 . . . . 0.0 111.679 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -60.34 -43.6 96.28 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 108.868 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -57.52 -41.13 80.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -62.39 -48.72 78.5 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -56.02 -12.2 1.36 Allowed 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -54.26 -28.16 39.81 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.623 1.556 . . . . 0.0 108.125 172.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 23' ' ' HIS . 1.4 p -64.83 -31.91 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 127.825 2.45 . . . . 0.0 113.284 176.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.419 ' CD2' HG13 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -168.48 75.41 0.11 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 125.061 1.344 . . . . 0.0 110.981 -178.526 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 64.48 2.05 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 64.76 -62.82 0.18 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.817 2.047 . . . . 0.0 113.423 179.578 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 O-C-N 121.662 -0.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -72.67 123.96 24.33 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -112.36 134.29 53.97 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.932 1.293 . . . . 0.0 108.543 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.1 p -78.45 -8.13 58.18 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.117 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.08 -48.43 1.72 Allowed Glycine 0 CA--C 1.533 1.165 0 CA-C-N 119.164 0.893 . . . . 0.0 113.775 178.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.88 -35.92 81.97 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.058 0.943 . . . . 0.0 110.722 -177.675 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -145.26 20.65 1.56 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.234 1.014 . . . . 0.0 110.327 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 16.26 46.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 130.643 3.577 . . . . 0.0 118.325 -178.746 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -70.33 128.82 37.54 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 175.118 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -89.12 120.22 30.32 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.358 0.663 . . . . 0.0 111.849 -175.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 16' ' ' LEU . 72.7 m-85 -113.63 136.96 52.25 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.333 1.053 . . . . 0.0 110.291 179.023 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.38 -39.37 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 123.822 0.849 . . . . 0.0 110.95 178.102 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.5 149.03 34.92 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.358 177.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.75 -19.92 62.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.601 176.392 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -63.44 -57.08 11.43 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.97 62.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.293 1.037 . . . . 0.0 109.293 177.23 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -59.33 -47.11 86.63 Favored 'General case' 0 N--CA 1.439 -0.984 0 O-C-N 121.545 -0.722 . . . . 0.0 111.584 177.16 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -53.7 -46.87 70.89 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -62.58 -31.91 72.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 176.54 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.07 -28.08 62.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 119.582 1.083 . . . . 0.0 110.464 -178.08 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -53.65 -22.01 7.98 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 118.164 -0.922 . . . . 0.0 112.612 178.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -48.43 -30.19 4.81 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.144 0.884 . . . . 0.0 112.418 177.774 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -25.28 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 119.431 1.014 . . . . 0.0 112.534 179.076 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -112.94 -59.1 2.06 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.269 1.028 . . . . 0.0 112.293 -176.666 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 56.23 21.51 5.37 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 129.298 3.039 . . . . 0.0 112.744 -174.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -77.43 69.04 3.64 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.594 -0.691 . . . . 0.0 109.862 -179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 O-C-N 122.151 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -75.37 144.2 42.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -116.83 133.65 55.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -18.74 64.84 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.58 -52.93 3.92 Favored Glycine 0 CA--C 1.528 0.847 0 O-C-N 121.036 -1.04 . . . . 0.0 112.062 178.118 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.32 -29.35 69.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.351 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -157.06 108.53 2.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 175.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.93 53.53 0.35 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -173.064 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -77.32 135.21 38.37 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -79.19 113.62 17.46 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.296 1.039 . . . . 0.0 112.163 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.32 108.26 16.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.349 1.46 . . . . 0.0 108.241 178.109 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.09 -46.58 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.027 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.19 136.79 32.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.839 1.256 . . . . 0.0 111.395 -177.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -61.0 -39.15 88.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.691 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.52 -40.75 83.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.503 0.721 . . . . 0.0 109.819 176.721 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.47 86.6 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -57.51 -54.05 51.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.771 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.88 -50.85 60.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.389 0.676 . . . . 0.0 109.842 179.25 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -57.45 -42.51 82.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.957 0.503 . . . . 0.0 110.241 178.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -60.01 -31.96 70.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.869 -0.52 . . . . 0.0 110.585 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.33 -6.92 1.1 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.313 0.961 . . . . 0.0 113.258 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -52.14 -35.7 49.23 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.516 1.053 . . . . 0.0 109.029 172.404 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -20.22 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 118.216 0.462 . . . . 0.0 112.083 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.37 110.26 0.38 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.303 1.441 . . . . 0.0 109.588 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -134.4 0.35 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.175 0.99 . . . . 0.0 108.495 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -169.59 177.18 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 127.097 2.159 . . . . 0.0 106.599 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 117.987 0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -129.71 139.55 51.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.918 2.487 . . . . 0.0 106.841 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -133.12 143.72 49.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.6 t -73.22 109.08 6.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.258 0.481 . . . . 0.0 110.738 -178.677 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.54 -30.68 13.44 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 118.416 0.553 . . . . 0.0 113.263 178.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.68 -17.19 42.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.936 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 p -155.09 17.14 0.42 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 121.186 1.812 . . . . 0.0 115.094 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 44.8 12.46 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 130.0 3.32 . . . . 0.0 118.187 177.129 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.91 144.01 57.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 174.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 p -87.81 122.44 31.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.941 1.697 . . . . 0.0 110.622 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CD1' HD22 ' A' ' 16' ' ' LEU . 93.9 m-85 -111.84 -28.67 7.97 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 123.943 0.897 . . . . 0.0 111.873 179.874 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 71.55 -28.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 126.682 1.993 . . . . 0.0 114.287 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.57 144.54 51.31 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.066 1.347 . . . . 0.0 111.571 179.249 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -55.6 -39.4 70.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.138 1.375 . . . . 0.0 110.956 179.439 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -59.46 5.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.344 0.657 . . . . 0.0 110.382 -178.559 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.58 80.58 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -57.23 -57.88 10.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.835 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -57.88 -43.54 86.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.877 -0.514 . . . . 0.0 110.526 -178.298 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -58.7 -39.19 80.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.165 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -66.26 -44.2 84.31 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.836 -1.078 . . . . 0.0 108.546 177.596 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -66.01 7.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.11 -31.05 72.1 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 103.911 -2.625 . . . . 0.0 103.911 166.167 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.92 147.92 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.17 2.588 . . . . 0.0 107.4 173.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 73.84 -63.66 0.42 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.334 1.854 . . . . 0.0 106.809 -175.242 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tptm 115.86 94.11 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.003 1 C-N-CA 133.323 4.649 . . . . 0.0 110.565 176.076 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 t30 70.51 -57.45 0.58 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.099 1.76 . . . . 0.0 112.516 178.745 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.217 0 O-C-N 121.845 -0.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -105.14 138.27 41.6 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.013 1.325 . . . . 0.0 108.844 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.41 142.85 34.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.145 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -15.23 57.1 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.849 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.28 -55.27 4.6 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.396 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 mt -69.09 -27.29 65.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 p -157.7 97.28 1.57 Allowed 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 177.027 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.97 61.47 0.42 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -174.351 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -84.72 133.47 34.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 175.048 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -74.8 90.13 2.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.475 0.71 . . . . 0.0 112.426 -176.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -78.75 124.16 27.91 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.179 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -49.26 -36.79 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.442 1.097 . . . . 0.0 113.906 -177.772 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -145.8 158.94 43.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.267 0.556 . . . . 0.0 111.755 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.24 -33.4 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 111.589 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.494 0.717 . . . . 0.0 109.456 177.587 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.46 95.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 16' ' ' LEU . 1.3 tm? -58.0 -59.44 5.26 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 123.419 0.688 . . . . 0.0 109.732 178.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 p -58.62 -42.73 88.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.679 -0.638 . . . . 0.0 109.954 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -56.7 -42.61 79.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -62.77 -43.18 99.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 177.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -63.51 4.49 0.24 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -60.79 -29.89 69.72 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 167.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.57 147.0 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 128.992 2.917 . . . . 0.0 107.72 174.878 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 73.15 -61.02 0.52 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.888 1.675 . . . . 0.0 108.502 -176.361 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? 57.99 38.12 26.77 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 128.109 2.564 . . . . 0.0 110.868 179.742 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -92.97 -54.18 3.84 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 123.795 0.838 . . . . 0.0 109.862 179.033 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.145 0 O-C-N 121.997 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.021 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -78.96 149.69 32.24 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -132.34 149.06 52.43 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.079 0.552 . . . . 0.0 109.764 -178.472 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -82.16 -30.99 30.71 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 124.013 0.925 . . . . 0.0 112.114 -179.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.5 -49.56 3.64 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.5 mt -70.48 -14.82 62.68 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 117.8 0.8 . . . . 0.0 110.72 179.056 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 p -161.35 125.71 3.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 175.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 58.78 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -91.7 144.21 25.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -96.13 126.37 41.31 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.733 1.213 . . . . 0.0 108.993 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -116.22 127.32 54.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.824 1.25 . . . . 0.0 108.937 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.0 m -66.31 -32.29 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.879 0.471 . . . . 0.0 111.847 -178.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -141.09 147.8 39.12 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.731 0.813 . . . . 0.0 110.035 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -56.25 -33.52 65.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.85 0.86 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -44.78 84.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.803 1.241 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.35 90.42 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.67 -40.89 96.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 O-C-N 122.247 -0.283 . . . . 0.0 110.319 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -52.72 -42.46 64.88 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.849 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -73.86 -22.21 59.83 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 175.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -71.96 -30.35 65.2 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 120.676 -1.265 . . . . 0.0 110.284 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.34 6.8 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 178.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -57.88 -37.98 74.93 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 168.475 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.425 HG23 ' CE1' ' A' ' 23' ' ' HIS . 1.5 m -89.32 147.4 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 175.556 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CE1' HG23 ' A' ' 22' ' ' VAL . 2.9 m-70 72.77 -61.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 109.989 -177.021 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 51.29 50.84 18.14 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.959 2.104 . . . . 0.0 111.063 -179.14 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t30 68.71 -57.55 0.5 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.436 1.894 . . . . 0.0 112.486 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 O-C-N 121.696 -0.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -68.07 134.82 51.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.73 133.89 36.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.4 -52.44 37.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.26 1.424 . . . . 0.0 114.822 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.24 -51.26 0.74 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -178.176 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.97 -17.94 60.94 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.118 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -156.19 -157.16 0.69 Allowed 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -114.27 -110.02 0.36 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.367 0.667 . . . . 0.0 110.697 -177.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 62.11 110.85 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.875 2.07 . . . . 0.0 110.154 -178.855 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 m -75.03 87.41 2.36 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.127 -0.983 . . . . 0.0 111.481 -178.053 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' CD2' HD22 ' A' ' 16' ' ' LEU . 86.9 m-85 -76.77 112.32 13.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.193 0.597 . . . . 0.0 110.127 179.622 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -47.03 -42.6 6.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.096 1.358 . . . . 0.0 113.53 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.94 156.4 36.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 122.282 1.039 . . . . 0.0 112.364 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.35 -26.47 68.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.549 176.286 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 p -65.08 -53.23 48.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.68 83.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 110.149 177.751 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -58.71 -53.54 57.23 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.09 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -56.06 -46.4 78.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.802 -0.561 . . . . 0.0 110.013 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -57.89 -42.24 84.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 22' ' ' VAL . 59.6 t60 -60.04 -34.73 73.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.759 -0.588 . . . . 0.0 110.129 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -62.42 2.12 0.29 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 120.003 1.274 . . . . 0.0 114.032 175.504 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.48 -29.26 68.94 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 169.487 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 19' ' ' HIS . 1.1 m -95.36 149.58 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 174.803 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.08 -63.9 0.26 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 128.014 2.526 . . . . 0.0 112.202 -178.111 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -68.45 -17.37 64.18 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -175.361 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -145.54 174.58 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.085 2.554 . . . . 0.0 106.399 179.411 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 121.903 -0.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -94.33 155.23 17.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 147.45 33.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.587 0.355 . . . . 0.0 110.832 -178.716 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 t -81.86 110.07 16.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.022 0.929 . . . . 0.0 111.596 -179.544 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.09 -23.4 11.86 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-N 118.265 0.484 . . . . 0.0 114.056 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.7 mt -92.31 -16.98 25.35 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.289 1.035 . . . . 0.0 113.606 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 p -158.46 17.69 0.21 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.643 1.565 . . . . 0.0 115.208 -177.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 35.48 36.58 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.302 3.041 . . . . 0.0 117.036 177.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -75.16 141.74 43.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 173.404 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -86.19 132.2 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.337 1.055 . . . . 0.0 111.261 -178.824 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.624 ' CE2' HD23 ' A' ' 16' ' ' LEU . 92.7 m-85 -127.77 125.19 39.42 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 124.457 1.103 . . . . 0.0 109.634 178.758 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.89 -37.35 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 124.771 1.228 . . . . 0.0 112.845 -179.578 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -144.51 158.65 43.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.09 0.556 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -53.46 22.56 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -176.772 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -47.21 56.32 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.248 0.931 . . . . 0.0 112.822 -175.5 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.94 -46.03 78.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.145 0.578 . . . . 0.0 110.009 178.36 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 10' ' ' PHE . 1.1 tm? -65.21 -48.67 72.57 Favored 'General case' 0 N--CA 1.438 -1.035 0 O-C-N 121.898 -0.501 . . . . 0.0 110.864 179.77 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -54.4 -46.95 73.23 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.491 -0.756 . . . . 0.0 109.362 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -58.79 -40.62 84.55 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.163 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 22' ' ' VAL . 49.6 t60 -59.8 -34.68 73.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.626 -179.83 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -62.64 0.82 0.45 Allowed 'General case' 0 C--N 1.342 0.277 0 CA-C-N 120.2 1.363 . . . . 0.0 114.644 176.645 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -66.23 -30.76 71.27 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.089 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 19' ' ' HIS . 1.7 m -81.39 153.51 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 172.727 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 74.79 -65.42 0.34 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.738 1.615 . . . . 0.0 108.539 -175.408 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 pttp 35.9 47.91 0.46 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.172 2.589 . . . . 0.0 112.409 -177.514 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.499 HD21 ' N ' ' A' ' 26' ' ' NH2 . 1.0 OUTLIER -164.58 -179.63 6.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -178.803 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . 0.499 ' N ' HD21 ' A' ' 25' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 118.756 0.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -81.61 134.6 35.51 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 126.033 1.733 . . . . 0.0 108.08 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -107.38 142.21 37.55 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.317 1.047 . . . . 0.0 109.578 -178.798 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -19.16 34.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.748 0.819 . . . . 0.0 112.645 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.34 -53.93 4.5 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.132 -0.98 . . . . 0.0 111.177 179.177 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.7 -16.99 62.84 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.749 0.774 . . . . 0.0 110.309 178.498 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -164.3 121.36 1.66 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 176.6 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -77.21 58.93 1.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.493 -0.754 . . . . 0.0 112.588 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -89.5 136.29 33.12 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 174.27 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -83.38 120.31 25.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.617 0.767 . . . . 0.0 111.387 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 16' ' ' LEU . 92.9 m-85 -111.9 142.52 44.19 Favored 'General case' 0 C--O 1.228 -0.062 0 C-N-CA 124.431 1.093 . . . . 0.0 109.74 178.67 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.39 -34.57 69.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -153.95 167.67 28.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.483 0.659 . . . . 0.0 112.514 -178.761 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -52.9 -40.41 63.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.351 1.46 . . . . 0.0 110.48 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -56.82 -54.77 42.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.707 -0.621 . . . . 0.0 110.052 178.049 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.28 88.3 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -56.31 -52.27 65.15 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.659 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -58.27 -45.18 88.35 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.851 -0.531 . . . . 0.0 110.3 -179.464 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -58.3 -44.24 88.45 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.783 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -62.24 -36.41 81.94 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.366 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -63.13 0.88 0.53 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.725 2.057 . . . . 0.0 114.654 174.82 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -59.85 -32.96 71.18 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 168.224 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.6 t -77.74 142.86 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 C-N-CA 128.482 2.713 . . . . 0.0 106.339 175.447 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 -70.74 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 127.229 2.212 . . . . 0.0 113.572 178.099 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -80.17 48.03 0.96 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.058 0.943 . . . . 0.0 111.708 -174.329 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 t30 169.65 -63.77 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 127.341 2.256 . . . . 0.0 107.064 -178.634 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.099 0 O-C-N 121.919 -0.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.034 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -97.13 116.91 30.19 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 126.632 1.973 . . . . 0.0 108.641 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -101.29 130.37 47.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.668 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -12.58 61.6 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.56 -55.39 4.42 Favored Glycine 0 CA--C 1.526 0.781 0 O-C-N 120.91 -1.119 . . . . 0.0 111.706 178.112 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.24 -28.81 67.55 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.703 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.23 108.12 2.97 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 103.312 -2.848 . . . . 0.0 103.312 175.673 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.37 56.41 1.07 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -174.925 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -77.15 123.9 27.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.633 -2.729 . . . . 0.0 103.633 173.837 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -76.25 90.27 3.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.106 0.562 . . . . 0.0 112.332 -176.966 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -78.42 132.71 37.43 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.5 t -60.84 -40.59 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 C-N-CA 124.458 1.103 . . . . 0.0 112.085 -178.204 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -126.74 157.45 39.09 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.41 0.684 . . . . 0.0 112.448 -177.682 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -24.07 67.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.106 176.578 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -64.75 -57.12 9.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 178.858 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.35 -43.95 71.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.701 177.361 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -54.17 50.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.063 0.545 . . . . 0.0 109.734 178.289 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -56.5 -45.0 81.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.754 -0.591 . . . . 0.0 109.995 -179.573 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -57.84 -45.95 85.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.065 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.62 -35.14 73.77 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.521 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -64.12 1.76 0.66 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 121.867 2.121 . . . . 0.0 114.909 174.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.5 mtp85 -60.89 -30.58 70.25 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 168.02 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.25 17.2 t -79.55 144.54 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 C-N-CA 127.857 2.463 . . . . 0.0 106.606 176.141 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.71 -46.65 0.39 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 176.002 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -68.8 63.13 0.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.032 1.333 . . . . 0.0 113.843 -171.399 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.32 69.0 0.78 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.322 1.449 . . . . 0.0 109.812 178.892 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 O-C-N 121.615 -0.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -83.27 171.75 13.27 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.253 1.821 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -140.04 154.22 47.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.835 1.654 . . . . 0.0 106.969 177.775 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.59 -33.07 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.01 -49.35 3.99 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -75.02 1.45 12.96 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 117.494 0.647 . . . . 0.0 110.365 176.575 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.1 p -179.35 153.37 0.58 Allowed 'General case' 0 N--CA 1.44 -0.972 1 C-N-CA 131.969 4.108 . . . . 0.0 101.71 177.228 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -102.72 40.4 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.573 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -72.68 141.82 48.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 172.825 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 t -95.85 142.23 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.014 0.526 . . . . 0.0 110.03 -178.912 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.747 ' CD1' HD12 ' A' ' 16' ' ' LEU . 53.6 m-85 -142.61 132.0 23.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.981 0.512 . . . . 0.0 111.921 -177.828 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -84.42 -42.63 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.394 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.47 114.7 25.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.057 1.343 . . . . 0.0 110.608 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.99 73.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.353 0.261 . . . . 0.0 110.482 178.186 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.2 -48.82 79.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.955 0.902 . . . . 0.0 110.404 178.902 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.14 84.86 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -61.68 -44.42 96.97 Favored 'General case' 0 N--CA 1.437 -1.116 0 O-C-N 121.947 -0.471 . . . . 0.0 111.604 178.972 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -53.92 -47.38 71.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.587 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -65.32 -32.0 73.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.477 176.679 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -67.85 -28.25 67.38 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.179 0.9 . . . . 0.0 110.162 -176.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -51.82 -25.35 7.57 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.132 178.015 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -43.15 -34.63 1.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.206 1.002 . . . . 0.0 112.836 178.097 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.85 -30.49 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.203 0.911 . . . . 0.0 112.493 -179.542 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -105.92 -57.12 2.09 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.681 1.193 . . . . 0.0 110.758 -177.268 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 tptt 42.87 46.39 4.57 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 129.757 3.223 . . . . 0.0 112.294 -177.426 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.1 138.05 58.27 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.212 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 122.005 -0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -69.47 138.26 53.28 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.865 2.066 . . . . 0.0 108.601 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 146.58 35.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.653 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.2 -51.12 5.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.871 0.868 . . . . 0.0 111.4 -178.825 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.34 -50.07 0.81 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.45 -20.23 60.76 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.851 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 p -161.58 -157.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 102.621 -3.103 . . . . 0.0 102.621 175.888 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -165.78 111.61 0.88 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.967 1.307 . . . . 0.0 108.612 -178.763 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 47.4 mtp180 -136.58 146.81 46.54 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.678 1.991 . . . . 0.0 105.862 178.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -71.94 64.23 0.5 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -173.801 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HD2' HD12 ' A' ' 16' ' ' LEU . 42.7 m-85 -78.77 83.36 4.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.284 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 p -41.06 -36.92 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 126.647 1.979 . . . . 0.0 114.457 -177.271 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -118.62 138.04 52.86 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.028 0.931 . . . . 0.0 110.571 179.558 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -48.61 -39.57 24.46 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.284 1.034 . . . . 0.0 112.221 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -55.15 -44.8 75.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.703 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.63 78.78 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.495 HD12 ' HD2' ' A' ' 10' ' ' PHE . 1.6 tt -74.52 -40.83 61.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 O-C-N 121.461 -0.774 . . . . 0.0 110.453 -179.642 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -51.82 -45.33 63.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.658 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -65.87 -38.92 90.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.587 175.279 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CG ' ' CE2' ' A' ' 10' ' ' PHE . 32.7 t60 -59.34 -30.63 68.51 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 120.838 1.654 . . . . 0.0 112.092 -178.798 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -55.19 -11.81 0.81 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.247 0.93 . . . . 0.0 113.04 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -47.27 -39.23 13.95 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.591 1.087 . . . . 0.0 109.759 173.024 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.69 -23.91 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.088 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.47 89.55 0.84 Allowed 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.409 1.083 . . . . 0.0 110.776 -179.206 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -77.95 43.22 0.42 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -81.89 62.38 5.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 121.326 -0.859 . . . . 0.0 109.501 -177.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.13 125.32 26.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -89.69 139.32 30.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.149 0.58 . . . . 0.0 111.153 -178.662 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.24 -27.5 60.8 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.242 0.617 . . . . 0.0 112.113 178.483 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.26 -55.01 4.81 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -178.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.29 -34.22 72.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.506 0.653 . . . . 0.0 109.999 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.0 p -151.13 80.41 1.31 Allowed 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 178.125 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -48.75 63.17 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.114 3.366 . . . . 0.0 117.694 -174.268 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -95.62 142.93 27.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 173.529 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -88.17 112.56 22.87 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.268 1.427 . . . . 0.0 111.123 -177.874 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 86.4 m-85 -99.32 140.23 33.79 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.902 0.881 . . . . 0.0 112.366 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.2 55.44 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 129.93 3.292 . . . . 0.0 109.414 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 113.58 150.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 131.455 3.902 . . . . 0.0 113.222 176.687 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -53.83 -32.02 51.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.19 173.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.55 -45.92 63.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.696 1.598 . . . . 0.0 111.093 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.71 59.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' A' ' 10' ' ' PHE . 3.6 tp -59.97 -35.94 76.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.514 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -50.86 -41.01 57.57 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.611 -0.68 . . . . 0.0 109.255 177.865 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -76.43 -30.58 57.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.714 0.805 . . . . 0.0 109.824 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 16' ' ' LEU . 81.4 t60 -66.35 -39.63 89.31 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 119.903 1.229 . . . . 0.0 109.552 179.541 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -53.24 -25.43 14.2 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 120.136 1.335 . . . . 0.0 112.842 179.12 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -47.25 -32.42 4.55 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.538 1.063 . . . . 0.0 111.058 176.662 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.79 -33.77 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 127.326 2.25 . . . . 0.0 111.905 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.86 -58.6 2.12 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.343 1.457 . . . . 0.0 109.328 -177.637 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 tttt 66.62 -55.26 0.42 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 131.508 3.923 . . . . 0.0 115.098 179.437 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 64.46 -61.07 0.2 Allowed 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 128.894 2.878 . . . . 0.0 112.342 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 O-C-N 121.716 -0.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.001 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' HB3' HD13 ' A' ' 16' ' ' LEU . 2.7 m-30 -85.19 125.2 32.65 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 123.61 24.22 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.05 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -18.13 29.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.283 1.033 . . . . 0.0 109.111 178.711 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.99 -54.87 1.34 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 106.355 -2.698 . . . . 0.0 106.355 -179.088 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mp -76.1 -30.39 58.25 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.37 -144.02 0.14 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 176.634 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -174.41 135.36 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.923 2.089 . . . . 0.0 107.26 -175.373 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 mpt_? -150.89 146.19 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.481 1.513 . . . . 0.0 109.709 176.615 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -75.69 56.52 0.92 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.683 1.193 . . . . 0.0 113.592 -177.761 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' A' ' 16' ' ' LEU . 85.5 m-85 -75.65 -39.41 57.74 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.956 -0.465 . . . . 0.0 110.587 178.229 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.257 0.3 OUTLIER 70.62 -30.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.824 2.85 . . . . 0.0 112.651 -177.711 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.64 105.96 16.59 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.91 1.684 . . . . 0.0 108.569 176.518 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -44.23 -43.85 7.52 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.333 1.453 . . . . 0.0 112.297 177.554 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -62.66 -48.76 77.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.952 0.501 . . . . 0.0 110.544 -179.241 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.32 78.33 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -57.65 -55.54 33.51 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.652 178.054 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -54.13 -40.97 67.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 109.044 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.93 -29.6 70.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -62.89 -44.32 96.4 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 119.442 1.019 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -49.58 -19.25 0.55 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -48.42 -37.97 18.48 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.852 1.206 . . . . 0.0 108.289 173.661 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG13 ' CD2' ' A' ' 23' ' ' HIS . 3.6 p -50.63 -34.42 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 128.064 2.546 . . . . 0.0 113.435 177.863 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.438 ' CD2' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -154.9 65.18 0.65 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.334 1.454 . . . . 0.0 108.552 179.526 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -74.88 65.75 1.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.543 1.137 . . . . 0.0 110.002 -179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 67.82 -61.52 0.37 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.722 2.009 . . . . 0.0 112.376 -179.792 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 121.719 -0.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -85.11 124.87 32.28 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.55 -22.67 22.75 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.896 1.678 . . . . 0.0 114.489 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.92 -53.71 4.62 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.5 mt -70.15 -36.62 74.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.392 0.596 . . . . 0.0 109.898 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.13 8.33 2.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 38.59 25.73 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.52 131.17 45.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 174.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -79.37 92.92 5.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.659 1.184 . . . . 0.0 112.806 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -83.43 112.78 20.25 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -47.68 -36.48 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 124.684 1.194 . . . . 0.0 114.01 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.33 143.48 50.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.164 0.986 . . . . 0.0 111.399 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.8 -28.86 69.76 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.103 0.961 . . . . 0.0 111.531 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -52.22 66.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.03 92.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.85 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.22 -50.78 72.36 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 118.645 0.657 . . . . 0.0 109.463 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -55.68 -52.9 62.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -44.97 78.44 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.632 0.773 . . . . 0.0 110.234 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -56.59 -29.79 62.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.974 0.91 . . . . 0.0 111.049 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -56.65 -18.49 12.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 120.739 1.608 . . . . 0.0 113.859 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -29.31 15.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 121.116 1.78 . . . . 0.0 110.647 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.52 -24.98 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 127.675 2.39 . . . . 0.0 112.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -133.16 -48.57 0.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.727 0.811 . . . . 0.0 112.231 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt . . . . . 0 N--CA 1.447 -0.602 0 C-N-CA 129.233 3.013 . . . . 0.0 112.635 -177.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -84.73 120.66 26.66 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 t -65.58 113.18 4.02 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.71 -34.65 3.9 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.927 0.785 . . . . 0.0 114.083 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.1 mt -82.01 -18.65 42.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.7 p -159.41 18.54 0.17 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.096 1.771 . . . . 0.0 114.945 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 33.46 34.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 130.454 3.502 . . . . 0.0 118.269 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -75.25 136.48 40.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 104.592 -2.373 . . . . 0.0 104.592 173.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -81.74 98.73 8.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.213 1.405 . . . . 0.0 112.445 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 90.5 m-85 -85.81 141.02 29.95 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.352 0.661 . . . . 0.0 111.595 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 p -53.72 -40.83 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 C-N-CA 126.859 2.064 . . . . 0.0 112.989 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.08 163.27 40.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.802 0.728 . . . . 0.0 111.492 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -53.03 -32.48 47.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.247 1.419 . . . . 0.0 113.17 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 p -63.37 -58.71 6.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.39 69.6 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.664 0.786 . . . . 0.0 109.839 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.62 -56.26 24.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.27 0.628 . . . . 0.0 109.746 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -55.04 -50.46 69.03 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.047 0.539 . . . . 0.0 109.892 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -58.59 -43.41 89.48 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.951 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.0 t60 -58.29 -28.26 64.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.082 -176.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -51.52 -26.49 8.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.184 0.902 . . . . 0.0 111.961 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -43.28 -34.88 1.29 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.252 1.021 . . . . 0.0 113.531 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -62.91 -33.07 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 119.136 0.88 . . . . 0.0 111.66 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -100.1 -53.74 3.06 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.383 1.073 . . . . 0.0 110.395 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? . . . . . 0 N--CA 1.447 -0.59 0 C-N-CA 129.172 2.989 . . . . 0.0 111.598 -175.312 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -93.3 127.05 38.73 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -62.68 114.34 3.54 Favored 'General case' 0 C--O 1.224 -0.274 0 O-C-N 121.774 -0.579 . . . . 0.0 110.254 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.95 5.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 118.912 0.778 . . . . 0.0 113.656 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.16 -20.82 47.53 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.6 p -156.82 19.08 0.32 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.417 1.917 . . . . 0.0 114.917 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 31.04 41.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 130.013 3.325 . . . . 0.0 117.546 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -82.14 139.46 34.35 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 171.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -84.23 125.0 31.81 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 112.394 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.5 m-85 -121.43 121.84 38.45 Favored 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 125.117 1.367 . . . . 0.0 107.663 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.6 -37.97 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -115.81 148.08 40.28 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.946 0.879 . . . . 0.0 112.615 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.03 -36.37 72.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.033 1.333 . . . . 0.0 110.199 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.28 66.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.689 0.795 . . . . 0.0 108.95 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.59 96.5 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.83 -53.85 53.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 118.466 0.576 . . . . 0.0 109.622 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -57.16 -50.2 73.57 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.463 0.705 . . . . 0.0 109.942 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -62.04 -36.52 81.85 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.274 -0.266 . . . . 0.0 111.113 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 32.0 t60 -61.5 -27.93 68.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.647 -0.658 . . . . 0.0 111.261 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -51.65 -25.94 8.1 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.125 0.875 . . . . 0.0 112.284 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -47.77 -30.18 3.73 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.89 0.876 . . . . 0.0 113.044 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.02 -34.37 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 119.992 1.269 . . . . 0.0 111.149 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -95.29 -55.2 3.14 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 124.085 0.954 . . . . 0.0 109.551 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.447 -0.6 0 C-N-CA 129.533 3.133 . . . . 0.0 114.27 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -101.52 141.33 34.54 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.858 0.863 . . . . 0.0 110.262 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.5 t -67.39 116.27 7.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.809 0.844 . . . . 0.0 109.603 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.74 -35.48 38.67 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 117.87 0.305 . . . . 0.0 112.372 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -79.29 -12.4 59.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.581 0.752 . . . . 0.0 112.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.324 25.5 p -155.01 -99.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.733 1.151 . . . . 0.0 111.407 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -164.52 -125.25 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.727 1.603 . . . . 0.0 108.888 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 60.76 119.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.954 2.102 . . . . 0.0 112.562 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p -78.56 97.38 5.74 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 120.66 -1.275 . . . . 0.0 109.524 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 82.3 m-85 -82.3 -39.43 22.92 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 122.877 0.471 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 70.6 -32.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 113.729 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.34 123.22 43.44 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.463 1.505 . . . . 0.0 108.74 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -57.75 -31.78 66.82 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.576 0.351 . . . . 0.0 111.048 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 p -64.59 -53.48 47.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.79 87.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.112 0.565 . . . . 0.0 109.682 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.68 -54.97 39.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.087 0.955 . . . . 0.0 109.574 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -56.29 -46.6 79.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.53 0.732 . . . . 0.0 110.563 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -64.75 -36.54 84.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.063 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.2 t60 -62.74 -29.68 70.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.427 1.012 . . . . 0.0 110.903 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -51.18 -26.54 7.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.734 -1.127 . . . . 0.0 113.878 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -46.33 -31.48 2.6 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.68 1.127 . . . . 0.0 113.635 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -60.18 -33.92 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.198 0.908 . . . . 0.0 111.427 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -101.22 -50.46 3.77 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.704 1.202 . . . . 0.0 110.256 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 129.581 3.152 . . . . 0.0 113.794 -176.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -93.96 133.09 37.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.265 1.026 . . . . 0.0 108.953 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.99 -49.07 73.93 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.87 -49.9 1.39 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.83 -18.55 62.07 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 p -157.8 -162.43 1.17 Allowed 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.79 102.33 2.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.622 0.725 . . . . 0.0 110.668 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -139.18 128.0 23.46 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -79.48 93.96 5.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.905 0.882 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 76.9 m-85 -80.2 135.64 36.31 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.961 0.41 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.44 -36.96 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 125.459 1.503 . . . . 0.0 114.017 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.85 164.14 36.15 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.012 0.824 . . . . 0.0 112.321 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -51.42 -40.51 59.49 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.772 1.229 . . . . 0.0 111.21 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -51.97 67.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.052 0.941 . . . . 0.0 110.101 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.43 93.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.294 0.637 . . . . 0.0 110.176 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.57 -52.46 63.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.381 1.072 . . . . 0.0 109.856 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 t -57.09 -53.02 62.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.326 1.051 . . . . 0.0 108.282 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -43.27 74.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.041 0.536 . . . . 0.0 109.57 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 37.4 t60 -58.79 -29.27 66.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.365 0.529 . . . . 0.0 111.596 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -53.24 -25.0 12.67 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.452 1.023 . . . . 0.0 111.961 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -44.72 -33.86 2.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.025 0.93 . . . . 0.0 112.782 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -65.53 -32.79 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 119.231 0.923 . . . . 0.0 112.327 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -100.93 -53.08 3.14 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.081 0.953 . . . . 0.0 110.759 -176.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? . . . . . 0 N--CA 1.445 -0.683 0 C-N-CA 130.141 3.376 . . . . 0.0 111.742 -176.643 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -147.61 150.39 34.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -98.6 124.09 43.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.669 1.588 . . . . 0.0 109.371 -179.398 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.52 55.64 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.267 0.461 . . . . 0.0 113.175 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -75.39 -19.36 59.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.25 0.62 . . . . 0.0 112.294 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.4 p -165.64 105.04 0.71 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.92 58.01 0.07 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -82.53 132.66 35.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 p -81.92 101.89 10.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.306 1.042 . . . . 0.0 111.172 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.709 ' CD2' HD23 ' A' ' 16' ' ' LEU . 88.7 m-85 -97.0 126.01 41.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.41 1.084 . . . . 0.0 109.576 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.44 -27.6 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.31 151.38 48.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.761 0.791 . . . . 0.0 112.799 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.01 -40.82 86.08 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.399 1.48 . . . . 0.0 111.463 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.28 -54.7 40.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.162 1.385 . . . . 0.0 109.46 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.89 66.47 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.753 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.709 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.5 tm? -59.55 -43.94 93.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 120.952 0.406 . . . . 0.0 111.621 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 m -58.66 -43.63 89.93 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -63.64 -39.44 94.36 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -58.39 -35.58 72.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.521 -0.737 . . . . 0.0 110.709 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -55.07 -14.17 1.47 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -56.21 -26.57 51.55 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.782 1.628 . . . . 0.0 110.939 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.52 -25.39 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 119.968 1.258 . . . . 0.0 111.182 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 82.56 1.13 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.362 1.465 . . . . 0.0 108.149 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.6 tttt . . . . . 0 CA--C 1.535 0.371 0 C-N-CA 125.612 1.565 . . . . 0.0 111.089 -177.792 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -100.91 133.36 45.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.474 0.71 . . . . 0.0 109.141 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -73.0 109.97 6.93 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.114 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 -39.0 3.96 Favored Glycine 0 CA--C 1.534 1.277 0 CA-C-N 118.762 0.71 . . . . 0.0 113.924 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.83 -20.84 57.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 p -154.92 15.12 0.42 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.265 1.848 . . . . 0.0 114.988 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 43.72 17.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 129.557 3.143 . . . . 0.0 117.635 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -63.85 138.64 58.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 173.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.5 m -93.15 116.87 29.44 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.275 1.03 . . . . 0.0 110.053 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.56 126.05 51.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.538 1.535 . . . . 0.0 109.044 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.75 -33.1 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.555 1.542 . . . . 0.0 114.051 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.75 155.22 44.11 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.528 0.68 . . . . 0.0 111.116 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.49 -33.66 66.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.312 1.045 . . . . 0.0 110.806 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -53.48 57.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.397 0.679 . . . . 0.0 109.541 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.6 99.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.21 -53.83 51.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 109.801 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 m -58.03 -52.68 64.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.58 -37.38 70.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -67.03 -25.68 66.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.309 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -51.32 -27.43 9.56 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.507 1.049 . . . . 0.0 113.67 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -41.75 -35.87 0.88 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.264 1.026 . . . . 0.0 113.619 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -62.61 -31.47 52.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 118.99 0.813 . . . . 0.0 112.197 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -103.76 -53.71 2.71 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.804 1.241 . . . . 0.0 109.864 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 tttp . . . . . 0 N--CA 1.443 -0.779 0 C-N-CA 128.92 2.888 . . . . 0.0 111.193 -177.749 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -132.62 145.61 51.23 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -26.76 52.22 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 112.471 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.68 -51.79 3.79 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.31 -0.869 . . . . 0.0 111.765 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.38 -24.43 64.78 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 117.798 0.799 . . . . 0.0 109.737 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.9 p -150.55 108.85 3.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.0 59.27 0.16 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -173.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -93.68 141.78 28.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -90.27 118.4 29.75 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 124.061 0.944 . . . . 0.0 110.615 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CD2' HD23 ' A' ' 16' ' ' LEU . 94.4 m-85 -108.46 120.75 43.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.186 1.394 . . . . 0.0 109.521 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.69 -33.31 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.779 -0.191 . . . . 0.0 111.504 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -125.75 138.52 53.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.145 0.978 . . . . 0.0 111.354 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.16 -27.23 68.81 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.835 0.854 . . . . 0.0 112.389 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -59.96 -58.21 9.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.716 1.206 . . . . 0.0 108.637 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -47.86 68.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.475 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.664 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.5 tm? -59.56 -48.68 80.71 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 122.208 -0.308 . . . . 0.0 111.402 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -56.35 -46.66 79.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.9 tpt85 -60.14 -37.83 81.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.526 0.33 . . . . 0.0 110.113 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -65.58 -36.3 83.36 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.917 0.887 . . . . 0.0 108.908 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.48 -15.2 6.31 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 121.137 1.789 . . . . 0.0 114.133 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -57.04 -26.18 59.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 121.398 1.908 . . . . 0.0 110.018 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.23 -33.94 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 126.737 2.015 . . . . 0.0 110.475 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.03 74.54 0.72 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.787 1.235 . . . . 0.0 108.89 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 C-N-CA 124.096 0.958 . . . . 0.0 110.42 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -112.54 134.17 54.21 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -24.23 65.85 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.18 -49.92 4.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 120.936 -1.103 . . . . 0.0 111.432 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.84 -21.14 61.0 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.157 -0.613 . . . . 0.0 110.057 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 p -160.34 120.86 2.93 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.36 65.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.414 1.085 . . . . 0.0 113.344 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -104.23 146.23 29.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 m -92.97 126.03 37.85 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 123.249 0.619 . . . . 0.0 111.02 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' CD2' HD22 ' A' ' 16' ' ' LEU . 95.6 m-85 -118.4 118.57 32.12 Favored 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 124.564 1.146 . . . . 0.0 108.788 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.1 m -57.34 -36.26 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -132.97 157.1 46.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.066 0.936 . . . . 0.0 112.37 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.24 -22.84 66.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.373 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -63.95 -62.34 1.7 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -45.02 30.05 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.391 0.676 . . . . 0.0 109.959 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -57.36 -56.59 19.88 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.329 0.652 . . . . 0.0 111.023 178.403 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -51.83 -46.78 64.47 Favored 'General case' 0 C--N 1.34 0.152 0 O-C-N 122.095 -0.378 . . . . 0.0 110.6 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -65.99 -40.21 91.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -60.1 -37.02 78.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.566 -0.709 . . . . 0.0 111.485 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -47.37 -30.94 3.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -49.22 -24.7 1.86 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.21 -35.13 74.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 120.384 1.447 . . . . 0.0 111.092 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -99.76 -47.14 5.17 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.55 1.14 . . . . 0.0 110.691 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt . . . . . 0 N--CA 1.447 -0.597 0 C-N-CA 130.208 3.403 . . . . 0.0 112.0 -176.572 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -96.49 124.34 40.45 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -21.82 65.2 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 -50.9 4.26 Favored Glycine 0 CA--C 1.527 0.808 0 O-C-N 121.052 -1.03 . . . . 0.0 111.402 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -67.97 -25.37 65.4 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.6 p -157.17 118.63 3.71 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 102.277 -3.231 . . . . 0.0 102.277 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.06 49.96 0.2 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 ttt-85 -89.05 144.65 25.99 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -86.42 129.53 34.82 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.683 1.193 . . . . 0.0 112.015 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CD1' ' CD2' ' A' ' 16' ' ' LEU . 82.8 m-85 -123.48 135.7 54.2 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 124.665 1.186 . . . . 0.0 109.234 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -79.21 -32.21 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.79 154.62 50.09 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.608 0.718 . . . . 0.0 112.612 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -57.91 -43.56 86.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.895 0.878 . . . . 0.0 110.723 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -54.65 -41.44 70.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.89 0.876 . . . . 0.0 111.02 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.05 88.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 ' CD2' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.57 -51.24 70.27 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 123.138 0.575 . . . . 0.0 109.612 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 m -50.41 -52.94 33.2 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.207 1.003 . . . . 0.0 109.391 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -62.36 -44.96 95.25 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -55.85 -36.25 67.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.947 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -52.16 -25.39 8.87 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 121.178 1.808 . . . . 0.0 113.655 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -49.93 -30.47 10.33 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.535 1.061 . . . . 0.0 111.083 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.95 -36.64 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.917 2.087 . . . . 0.0 111.933 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -109.59 -52.74 2.74 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 124.275 1.03 . . . . 0.0 109.955 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt . . . . . 0 N--CA 1.442 -0.862 0 C-N-CA 128.633 2.773 . . . . 0.0 111.292 -178.612 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -110.71 145.41 38.07 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.429 0.691 . . . . 0.0 111.058 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HA ' HD21 ' A' ' 16' ' ' LEU . 11.9 t -78.35 -25.34 46.31 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 126.052 1.741 . . . . 0.0 113.644 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.28 -52.13 4.02 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 121.229 -0.919 . . . . 0.0 111.007 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.48 -38.01 83.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 p -146.89 86.71 1.66 Allowed 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.46 59.07 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.838 2.855 . . . . 0.0 118.01 -174.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -84.25 127.39 33.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -84.47 96.13 9.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.925 0.49 . . . . 0.0 110.936 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.644 ' CD2' HD23 ' A' ' 16' ' ' LEU . 91.9 m-85 -84.87 137.1 33.35 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.03 -41.82 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 C-N-CA 124.152 0.981 . . . . 0.0 110.539 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -120.96 146.86 46.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.203 1.001 . . . . 0.0 111.573 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -60.56 -35.54 76.31 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -51.88 58.68 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.756 0.822 . . . . 0.0 110.527 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.84 63.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.59 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.644 HD23 ' CD2' ' A' ' 10' ' ' PHE . 2.7 tm? -54.39 -46.55 73.12 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 111.801 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -60.54 -53.61 55.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -56.27 -39.67 73.0 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -60.72 -30.76 70.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.064 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -50.53 -32.94 19.81 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 119.938 1.245 . . . . 0.0 112.979 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -36.02 -37.79 0.12 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 114.331 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 m -56.61 -40.47 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.717 0.689 . . . . 0.0 111.668 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -102.17 -50.54 3.61 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.447 1.099 . . . . 0.0 109.22 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.44 -0.931 0 C-N-CA 125.294 1.438 . . . . 0.0 108.778 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 N--CA 1.45 -0.458 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.46 148.0 26.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.752 1.221 . . . . 0.0 108.989 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.96 -62.97 1.43 Allowed 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.77 -52.52 0.72 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 109.326 -1.509 . . . . 0.0 109.326 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -15.67 60.82 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -159.83 -164.07 1.26 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 101.808 -3.404 . . . . 0.0 101.808 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.31 106.05 1.73 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.495 -0.753 . . . . 0.0 112.267 -176.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.07 132.98 32.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -74.91 86.57 2.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.188 0.595 . . . . 0.0 110.864 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.36 143.38 44.89 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 m -71.12 -31.96 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.25 153.83 46.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.318 0.58 . . . . 0.0 112.293 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -55.25 -37.1 66.78 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.928 0.891 . . . . 0.0 110.707 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -51.0 63.86 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.258 1.023 . . . . 0.0 110.243 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.63 91.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.249 1.02 . . . . 0.0 110.088 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -46.4 83.3 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.296 1.039 . . . . 0.0 110.052 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -59.76 -54.31 47.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.51 -46.57 70.15 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -55.86 -28.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.081 -0.961 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -59.32 -25.03 63.81 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 121.536 1.971 . . . . 0.0 112.331 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -26.36 5.42 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.148 1.34 . . . . 0.0 111.435 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.87 -37.17 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 C-N-CA 126.987 2.115 . . . . 0.0 111.388 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -124.37 -7.95 7.54 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.863 1.265 . . . . 0.0 114.264 -176.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp . . . . . 0 N--CA 1.445 -0.711 0 C-N-CA 124.741 1.216 . . . . 0.0 111.589 -173.092 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -114.06 148.79 36.49 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.104 0.962 . . . . 0.0 112.847 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.39 111.77 24.07 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 174.577 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.59 -35.63 11.33 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.281 0.467 . . . . 0.0 114.015 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.6 mt -77.68 -21.23 52.37 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.454 0.702 . . . . 0.0 112.871 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -165.02 93.25 0.61 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.84 61.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -172.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.3 134.14 42.58 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -79.51 87.5 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.643 1.177 . . . . 0.0 111.29 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.53 ' CD2' HD23 ' A' ' 16' ' ' LEU . 86.0 m-85 -84.92 120.58 26.65 Favored 'General case' 0 C--O 1.228 -0.042 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.97 -34.07 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.313 0.645 . . . . 0.0 112.263 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 142.64 51.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.372 1.069 . . . . 0.0 110.426 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -60.24 -31.15 69.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.464 0.705 . . . . 0.0 112.304 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 m -53.76 -48.43 69.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.645 0.778 . . . . 0.0 111.302 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.77 70.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' A' ' 10' ' ' PHE . 2.9 tm? -53.99 -43.61 70.14 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.014 0.925 . . . . 0.0 110.748 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 m -61.75 -55.57 28.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -57.14 -34.23 68.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.314 0.246 . . . . 0.0 110.781 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -61.62 -25.04 67.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 109.233 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -65.77 -1.51 2.9 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 121.739 2.063 . . . . 0.0 113.115 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.4 -29.66 69.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.259 21.8 t -79.59 138.13 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.362 0 N-CA-C 103.527 -2.768 . . . . 0.0 103.527 172.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 72.41 -49.1 0.69 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttp . . . . . 0 N--CA 1.453 -0.276 0 C-N-CA 127.156 2.182 . . . . 0.0 112.453 -175.727 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 121.714 0.769 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.85 79.6 1.61 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.143 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.98 -29.55 65.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.796 0.438 . . . . 0.0 110.26 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 -51.11 4.52 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.04 -16.4 62.04 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 p -171.47 -175.28 1.58 Allowed 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 103.241 -2.874 . . . . 0.0 103.241 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -150.65 105.5 3.3 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 127.342 2.257 . . . . 0.0 107.588 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 80.2 mtp180 -134.95 154.38 51.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.241 1.417 . . . . 0.0 107.567 177.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -77.68 78.28 4.18 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 8' ' ' ARG . 54.8 m-85 -87.82 -37.78 16.26 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.101 0.96 . . . . 0.0 110.128 175.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.259 9.2 m 57.3 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 130.335 3.454 . . . . 0.0 117.051 178.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -132.25 131.56 42.2 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.502 1.121 . . . . 0.0 111.296 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -45.87 -35.8 4.81 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.244 1.818 . . . . 0.0 113.022 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -62.2 2.03 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.285 1.434 . . . . 0.0 109.431 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.87 87.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.711 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -58.37 -47.07 85.0 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.908 0.883 . . . . 0.0 110.336 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -58.69 -56.65 19.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -55.46 -38.92 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.387 -0.196 . . . . 0.0 110.624 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -59.92 -30.55 69.12 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.441 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.38 -27.62 10.43 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 119.836 1.198 . . . . 0.0 113.067 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -45.85 -31.39 2.09 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.016 0.826 . . . . 0.0 113.21 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.58 -30.79 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 119.869 1.213 . . . . 0.0 112.047 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -105.92 -54.9 2.41 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.374 1.07 . . . . 0.0 110.52 -177.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? . . . . . 0 N--CA 1.447 -0.581 0 C-N-CA 128.733 2.813 . . . . 0.0 110.366 -177.522 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -118.7 125.37 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.34 66.12 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.553 0.741 . . . . 0.0 112.72 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.14 3.88 Favored Glycine 0 CA--C 1.527 0.827 0 O-C-N 121.301 -0.874 . . . . 0.0 111.516 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.28 -23.62 64.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.549 0.675 . . . . 0.0 109.353 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 p -155.81 114.61 3.49 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -71.77 61.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.402 1.481 . . . . 0.0 113.812 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -99.06 141.53 31.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 p -82.79 108.47 16.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.128 1.371 . . . . 0.0 111.794 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 69.4 m-85 -102.87 102.65 12.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.691 0.796 . . . . 0.0 109.793 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 p -44.62 -38.25 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 125.946 1.698 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -135.61 162.17 33.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.314 1.054 . . . . 0.0 112.33 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.04 -32.38 67.93 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.016 -1.447 . . . . 0.0 108.571 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 p -64.27 -54.76 28.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.26 69.0 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.031 0.932 . . . . 0.0 110.557 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -53.8 44.52 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.638 0.775 . . . . 0.0 109.448 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -53.69 -49.01 68.96 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.795 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -57.44 -45.09 85.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 76.2 t60 -59.53 -31.28 69.25 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.355 178.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.17 1.71 0.68 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 122.045 2.202 . . . . 0.0 114.324 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.63 -27.08 68.4 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 168.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 21.9 t -82.85 143.1 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 127.969 2.508 . . . . 0.0 104.921 174.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 72.24 -61.7 0.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.707 1.203 . . . . 0.0 112.537 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt . . . . . 0 N--CA 1.451 -0.38 0 C-N-CA 127.099 2.16 . . . . 0.0 111.651 -177.573 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 122.043 0.925 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -74.69 77.15 2.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.487 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -24.77 66.7 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 176.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.36 -54.53 4.19 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.066 0.841 . . . . 0.0 111.038 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.84 -14.46 60.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.94 0.37 . . . . 0.0 111.518 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -172.0 159.49 5.05 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -132.24 92.4 3.09 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.993 2.117 . . . . 0.0 108.185 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.418 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 61.8 mtp180 -115.19 155.29 27.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -72.8 73.96 1.12 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 54.2 m-85 -85.0 -38.63 19.0 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.935 0.894 . . . . 0.0 110.551 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.339 2.5 p 53.34 -0.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 130.634 3.573 . . . . 0.0 118.472 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -138.09 138.64 38.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 125.348 1.459 . . . . 0.0 110.381 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.65 -35.52 66.05 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.408 1.083 . . . . 0.0 111.353 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -59.49 -61.43 2.63 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.455 1.102 . . . . 0.0 109.046 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -45.18 71.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.91 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -54.17 49.95 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 122.878 0.471 . . . . 0.0 109.814 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -54.21 -46.73 72.54 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -59.81 -44.0 94.22 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 16.7 t60 -60.25 -36.16 77.14 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.431 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -55.84 -9.76 0.63 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.95 1.25 . . . . 0.0 113.435 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -55.19 -33.26 62.86 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.982 1.264 . . . . 0.0 109.266 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.26 -32.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 118.911 0.778 . . . . 0.0 110.596 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.44 101.32 2.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.261 1.024 . . . . 0.0 110.713 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 C-N-CA 124.304 1.041 . . . . 0.0 110.985 -178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 . . . . . 0 C--O 1.233 0.228 0 CA-C-O 122.003 0.906 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.44 76.66 1.04 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.565 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -24.13 61.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.969 0.508 . . . . 0.0 110.387 176.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.31 -52.01 4.65 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.74 -20.69 58.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.72 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 p -163.67 -19.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 38.73 55.4 1.96 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -77.56 154.77 32.05 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -72.61 79.01 1.08 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.24 1.416 . . . . 0.0 113.738 -176.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 12' ' ' GLU . 71.6 m-85 -93.36 -41.94 9.57 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.124 0.57 . . . . 0.0 110.515 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.274 18.2 m 61.87 -23.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 1 C-N-CA 132.22 4.208 . . . . 0.0 114.441 -179.247 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 10' ' ' PHE . 2.7 tm-20 -93.09 112.41 24.36 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 127.611 2.364 . . . . 0.0 108.64 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -45.47 -55.36 6.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.718 1.207 . . . . 0.0 112.881 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.08 -51.93 48.47 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.105 0.411 . . . . 0.0 110.984 -177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -40.56 85.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.509 0.724 . . . . 0.0 110.41 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.32 -49.81 75.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 118.761 0.71 . . . . 0.0 109.819 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -47.85 84.35 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -54.78 -44.83 74.05 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.198 0.599 . . . . 0.0 109.62 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -58.13 -28.28 64.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.454 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -52.12 -28.23 17.05 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 120.418 1.463 . . . . 0.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -32.59 1.54 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.021 0.929 . . . . 0.0 113.228 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -63.17 -34.33 66.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 120.013 1.279 . . . . 0.0 111.889 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -101.57 -51.92 3.34 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 123.919 0.888 . . . . 0.0 110.606 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm . . . . . 0 N--CA 1.445 -0.697 0 C-N-CA 131.581 3.952 . . . . 0.0 107.654 -176.356 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -82.78 121.3 26.72 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.09 108.73 3.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.58 -34.64 5.17 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-N 118.833 0.742 . . . . 0.0 113.508 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.2 mt -79.98 -19.85 46.88 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.0 p -159.45 21.38 0.18 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.159 1.8 . . . . 0.0 114.432 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.26 30.8 mt-10 35.34 23.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 131.139 3.776 . . . . 0.0 119.036 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -68.08 141.01 56.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -94.21 120.2 34.12 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.806 1.242 . . . . 0.0 109.05 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CD2' HD22 ' A' ' 16' ' ' LEU . 97.2 m-85 -109.91 138.89 45.65 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 124.692 1.197 . . . . 0.0 112.496 -177.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 m -47.03 -45.23 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.459 1.504 . . . . 0.0 113.089 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.74 162.23 41.11 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.976 0.417 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -32.97 45.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.842 0.857 . . . . 0.0 111.835 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -47.77 84.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.533 0.733 . . . . 0.0 109.759 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.0 92.88 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -58.96 -55.63 32.63 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.843 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.3 m -50.74 -49.72 57.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.239 1.015 . . . . 0.0 109.635 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -57.93 -47.59 82.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 22' ' ' VAL . 54.8 t60 -58.22 -44.61 88.29 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.583 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -50.46 -23.14 2.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -49.3 -29.49 6.06 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.204 1.366 . . . . 0.0 110.376 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.41 HG13 ' CG ' ' A' ' 23' ' ' HIS . 4.3 p -57.43 -38.26 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 128.249 2.619 . . . . 0.0 113.958 177.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.41 ' CG ' HG13 ' A' ' 22' ' ' VAL . 52.7 m-70 -109.6 -44.74 3.8 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.792 1.237 . . . . 0.0 110.134 -177.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER . . . . . 0 N--CA 1.442 -0.83 0 C-N-CA 129.917 3.287 . . . . 0.0 112.917 -177.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -132.62 136.85 46.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.1 110.21 11.57 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.02 -36.3 2.62 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 123.699 0.666 . . . . 0.0 114.203 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -79.84 -19.95 47.17 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 p -151.52 10.56 0.57 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.845 1.657 . . . . 0.0 115.0 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 45.98 19.05 0.06 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 128.309 2.643 . . . . 0.0 116.602 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -66.65 143.38 57.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -89.34 142.65 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.339 0.656 . . . . 0.0 111.083 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CD1' HD22 ' A' ' 16' ' ' LEU . 94.1 m-85 -134.31 137.51 44.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.502 . . . . 0.0 109.878 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -48.78 63.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.314 1.046 . . . . 0.0 112.355 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.57 171.58 16.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.845 0.831 . . . . 0.0 112.954 -178.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -47.77 -41.42 23.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.318 1.847 . . . . 0.0 113.546 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -47.98 82.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.771 0.714 . . . . 0.0 110.103 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.85 99.64 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -58.84 -50.44 73.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.681 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.9 m -55.9 -52.62 63.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -54.45 -41.56 69.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.352 0.661 . . . . 0.0 110.334 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -58.76 -27.5 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.675 -0.679 . . . . 0.0 111.561 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -63.08 0.69 0.55 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.942 1.246 . . . . 0.0 113.01 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -32.93 64.3 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.45 146.01 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 73.2 -58.64 0.59 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.531 1.932 . . . . 0.0 110.662 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 tttm . . . . . 0 N--CA 1.447 -0.578 0 C-N-CA 126.013 1.725 . . . . 0.0 110.858 -178.238 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -79.89 128.86 33.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 t -56.71 -28.6 61.25 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.77 -54.3 4.4 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.96 -28.34 65.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.088 0.555 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 p -152.44 30.54 0.53 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.367 0.531 . . . . 0.0 110.555 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.256 23.1 mt-10 21.76 19.57 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 2 C-N-CA 132.415 4.286 . . . . 0.0 121.848 -179.92 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -59.2 134.12 56.71 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -98.29 111.26 23.66 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.586 1.155 . . . . 0.0 109.86 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.449 ' CD1' HD22 ' A' ' 16' ' ' LEU . 61.5 m-85 -102.39 139.11 38.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.562 1.145 . . . . 0.0 109.688 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.29 -42.13 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -115.54 147.83 40.23 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.616 0.766 . . . . 0.0 112.181 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.63 -31.48 70.67 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.881 0.872 . . . . 0.0 110.662 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -49.34 77.94 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.52 92.31 Favored 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.449 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -54.32 -52.12 62.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.309 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -56.76 -47.65 79.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.646 0.379 . . . . 0.0 110.683 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.37 -25.09 65.6 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.583 0.353 . . . . 0.0 110.593 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.426 ' O ' HG12 ' A' ' 22' ' ' VAL . 53.4 t60 -81.34 -52.19 7.56 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.875 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -45.74 -33.22 2.89 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -44.55 -29.99 0.82 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.108 0.867 . . . . 0.0 111.175 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.431 HG13 ' CG ' ' A' ' 23' ' ' HIS . 9.2 p -53.19 -42.7 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 127.548 2.339 . . . . 0.0 113.319 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' CG ' HG13 ' A' ' 22' ' ' VAL . 12.0 m-70 -110.52 -29.94 7.85 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.584 1.154 . . . . 0.0 111.895 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 N--CA 1.446 -0.648 0 C-N-CA 126.953 2.101 . . . . 0.0 112.293 -171.995 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -102.83 137.46 41.01 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.6 t -68.07 108.41 3.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.98 -33.72 3.77 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-N 118.888 0.767 . . . . 0.0 113.727 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.24 -21.84 45.64 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.67 18.79 0.46 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.994 1.725 . . . . 0.0 114.475 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 36.76 34.21 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.455 3.502 . . . . 0.0 118.483 178.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -81.46 140.31 34.69 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.049 -2.574 . . . . 0.0 104.049 173.031 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -84.71 136.4 33.74 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 124.047 0.939 . . . . 0.0 110.872 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.2 m-85 -121.71 -34.48 3.39 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER 72.58 -36.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 128.128 2.571 . . . . 0.0 112.704 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -102.53 122.56 44.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 126.966 2.106 . . . . 0.0 109.625 -179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -56.57 -39.21 73.09 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.695 0.398 . . . . 0.0 110.926 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.491 1.116 . . . . 0.0 110.535 178.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.54 -42.09 62.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.95 -48.42 75.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.772 0.829 . . . . 0.0 108.801 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 m -56.69 -55.78 29.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.368 1.067 . . . . 0.0 108.971 178.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -52.52 -44.74 65.94 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 78.7 t60 -60.6 -29.13 69.01 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.667 -178.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -59.71 -19.86 52.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 121.113 1.778 . . . . 0.0 112.443 177.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -52.5 -27.84 18.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.607 1.549 . . . . 0.0 110.708 177.235 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.6 -28.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 C-N-CA 126.929 2.091 . . . . 0.0 112.088 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -123.25 -55.3 1.77 Allowed 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.406 1.083 . . . . 0.0 111.434 -176.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 130.766 3.626 . . . . 0.0 114.597 -178.118 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -135.83 145.59 46.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 t -86.66 106.95 17.96 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 118.815 0.734 . . . . 0.0 110.514 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.57 7.47 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 118.096 0.407 . . . . 0.0 113.669 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.77 -20.3 50.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.109 -0.948 . . . . 0.0 113.448 -178.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.4 p -152.99 20.86 0.58 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.442 1.474 . . . . 0.0 114.445 -178.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.292 10.7 pt-20 44.61 2.27 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 130.363 3.465 . . . . 0.0 119.6 177.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -56.4 144.5 30.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 174.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 m -96.46 134.79 39.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.932 1.293 . . . . 0.0 108.751 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' HD22 ' A' ' 16' ' ' LEU . 85.3 m-85 -126.31 -24.94 3.58 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.921 0.889 . . . . 0.0 113.146 -176.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.348 1.6 p 46.76 25.75 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 117.022 2.231 . . . . 0.0 117.022 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -157.94 136.48 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 126.311 1.845 . . . . 0.0 108.121 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -66.85 -21.82 66.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -66.76 -64.06 0.93 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.77 -42.7 62.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.613 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.09 -54.08 49.07 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 118.588 0.631 . . . . 0.0 110.614 177.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -53.92 -46.2 71.41 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.794 -0.566 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -57.8 -48.8 78.68 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -58.39 -36.23 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.06 -11.66 3.84 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 121.378 1.899 . . . . 0.0 114.145 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -54.63 -29.48 52.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 120.87 1.668 . . . . 0.0 108.755 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.75 -36.43 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 127.144 2.178 . . . . 0.0 111.083 178.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.69 66.79 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -176.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.2 pttt . . . . . 0 CA--C 1.533 0.323 0 C-N-CA 124.074 0.95 . . . . 0.0 109.96 177.575 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -132.26 138.18 47.79 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.04 113.65 22.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.21 -10.43 2.68 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.3 mt -113.01 9.13 18.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.297 1.439 . . . . 0.0 112.208 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -148.98 -36.11 0.18 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.497 1.044 . . . . 0.0 112.522 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 72.44 16.07 5.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 127.965 2.506 . . . . 0.0 112.431 -177.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.1 143.04 52.53 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 174.13 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -89.88 131.65 35.69 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.389 0.676 . . . . 0.0 109.178 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 16' ' ' LEU . 96.5 m-85 -126.43 123.89 38.9 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.301 1.44 . . . . 0.0 109.245 -178.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.5 -39.3 85.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -115.8 148.68 39.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -63.87 -33.65 76.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 175.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -46.16 88.59 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.926 0.89 . . . . 0.0 109.247 176.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -57.45 -51.82 67.9 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.296 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -52.9 -48.75 66.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.421 0.689 . . . . 0.0 109.524 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.4 tpt85 -61.84 -39.05 90.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.931 0.493 . . . . 0.0 110.292 177.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -63.14 -29.31 70.69 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.509 -179.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -61.7 7.24 0.05 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 177.217 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -37.7 81.36 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 170.203 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.412 HG23 ' CE1' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -82.91 150.37 4.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 174.777 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.412 ' CE1' HG23 ' A' ' 22' ' ' VAL . 2.4 m-70 72.24 -59.41 0.56 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.771 . . . . 0.0 110.261 -176.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 N--CA 1.447 -0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 110.673 -179.097 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -134.13 148.3 50.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -27.4 44.16 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.428 0.691 . . . . 0.0 112.769 -177.264 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.64 -50.75 3.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 121.099 -1.001 . . . . 0.0 112.114 178.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.65 -24.25 65.43 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.721 0.761 . . . . 0.0 109.337 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.1 p -154.86 110.77 3.17 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 101.04 -3.689 . . . . 0.0 101.04 176.359 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.82 55.69 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -172.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -82.59 144.52 30.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 173.273 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.2 m -101.55 135.72 42.6 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.507 0.723 . . . . 0.0 109.809 -179.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.734 ' CD2' HD23 ' A' ' 16' ' ' LEU . 73.6 m-85 -129.37 139.06 51.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.597 1.559 . . . . 0.0 108.261 -178.343 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -43.44 51.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.851 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.91 154.4 37.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.837 0.855 . . . . 0.0 111.63 178.365 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -58.36 -31.8 67.95 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.121 1.368 . . . . 0.0 113.685 -179.178 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -58.31 -57.78 11.37 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.794 0.725 . . . . 0.0 111.743 -176.419 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.31 -46.07 80.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.678 0.791 . . . . 0.0 109.926 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.734 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.6 tm? -61.3 -50.22 73.85 Favored 'General case' 0 N--CA 1.437 -1.076 0 O-C-N 122.271 -0.268 . . . . 0.0 111.679 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -60.34 -43.6 96.28 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 108.868 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -57.52 -41.13 80.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -62.39 -48.72 78.5 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -56.02 -12.2 1.36 Allowed 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -54.26 -28.16 39.81 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.623 1.556 . . . . 0.0 108.125 172.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 23' ' ' HIS . 1.4 p -64.83 -31.91 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 127.825 2.45 . . . . 0.0 113.284 176.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.419 ' CD2' HG13 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -168.48 75.41 0.11 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 125.061 1.344 . . . . 0.0 110.981 -178.526 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.431 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -112.36 134.29 53.97 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.932 1.293 . . . . 0.0 108.543 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.1 p -78.45 -8.13 58.18 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.08 -48.43 1.72 Allowed Glycine 0 CA--C 1.533 1.165 0 CA-C-N 119.164 0.893 . . . . 0.0 113.775 178.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.88 -35.92 81.97 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.058 0.943 . . . . 0.0 110.722 -177.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -145.26 20.65 1.56 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.234 1.014 . . . . 0.0 110.327 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 16.26 46.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 130.643 3.577 . . . . 0.0 118.325 -178.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -70.33 128.82 37.54 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 175.118 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -89.12 120.22 30.32 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.358 0.663 . . . . 0.0 111.849 -175.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 16' ' ' LEU . 72.7 m-85 -113.63 136.96 52.25 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.333 1.053 . . . . 0.0 110.291 179.023 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.38 -39.37 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 123.822 0.849 . . . . 0.0 110.95 178.102 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.5 149.03 34.92 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.358 177.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.75 -19.92 62.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.601 176.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -63.44 -57.08 11.43 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.97 62.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.293 1.037 . . . . 0.0 109.293 177.23 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -59.33 -47.11 86.63 Favored 'General case' 0 N--CA 1.439 -0.984 0 O-C-N 121.545 -0.722 . . . . 0.0 111.584 177.16 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -53.7 -46.87 70.89 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -62.58 -31.91 72.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 176.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.07 -28.08 62.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 119.582 1.083 . . . . 0.0 110.464 -178.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -53.65 -22.01 7.98 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 118.164 -0.922 . . . . 0.0 112.612 178.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -48.43 -30.19 4.81 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.144 0.884 . . . . 0.0 112.418 177.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -25.28 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 119.431 1.014 . . . . 0.0 112.534 179.076 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -112.94 -59.1 2.06 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.269 1.028 . . . . 0.0 112.293 -176.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt . . . . . 0 N--CA 1.447 -0.619 0 C-N-CA 129.298 3.039 . . . . 0.0 112.744 -174.954 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -116.83 133.65 55.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -18.74 64.84 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.58 -52.93 3.92 Favored Glycine 0 CA--C 1.528 0.847 0 O-C-N 121.036 -1.04 . . . . 0.0 112.062 178.118 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.32 -29.35 69.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -157.06 108.53 2.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 175.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.93 53.53 0.35 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -173.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -77.32 135.21 38.37 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -79.19 113.62 17.46 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.296 1.039 . . . . 0.0 112.163 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.32 108.26 16.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.349 1.46 . . . . 0.0 108.241 178.109 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.09 -46.58 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.027 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.19 136.79 32.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.839 1.256 . . . . 0.0 111.395 -177.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -61.0 -39.15 88.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.52 -40.75 83.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.503 0.721 . . . . 0.0 109.819 176.721 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.47 86.6 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -57.51 -54.05 51.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.88 -50.85 60.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.389 0.676 . . . . 0.0 109.842 179.25 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -57.45 -42.51 82.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.957 0.503 . . . . 0.0 110.241 178.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -60.01 -31.96 70.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.869 -0.52 . . . . 0.0 110.585 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.33 -6.92 1.1 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.313 0.961 . . . . 0.0 113.258 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -52.14 -35.7 49.23 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.516 1.053 . . . . 0.0 109.029 172.404 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -20.22 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 118.216 0.462 . . . . 0.0 112.083 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.37 110.26 0.38 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.303 1.441 . . . . 0.0 109.588 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.622 0 C-N-CA 124.175 0.99 . . . . 0.0 108.495 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -133.12 143.72 49.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.6 t -73.22 109.08 6.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.258 0.481 . . . . 0.0 110.738 -178.677 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.54 -30.68 13.44 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 118.416 0.553 . . . . 0.0 113.263 178.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.68 -17.19 42.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.936 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 p -155.09 17.14 0.42 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 121.186 1.812 . . . . 0.0 115.094 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 44.8 12.46 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 130.0 3.32 . . . . 0.0 118.187 177.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.91 144.01 57.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 174.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 p -87.81 122.44 31.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.941 1.697 . . . . 0.0 110.622 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CD1' HD22 ' A' ' 16' ' ' LEU . 93.9 m-85 -111.84 -28.67 7.97 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 123.943 0.897 . . . . 0.0 111.873 179.874 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 71.55 -28.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 126.682 1.993 . . . . 0.0 114.287 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.57 144.54 51.31 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.066 1.347 . . . . 0.0 111.571 179.249 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -55.6 -39.4 70.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.138 1.375 . . . . 0.0 110.956 179.439 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -59.46 5.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.344 0.657 . . . . 0.0 110.382 -178.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.58 80.58 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -57.23 -57.88 10.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.835 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -57.88 -43.54 86.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.877 -0.514 . . . . 0.0 110.526 -178.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -58.7 -39.19 80.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.165 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -66.26 -44.2 84.31 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.836 -1.078 . . . . 0.0 108.546 177.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.01 7.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.11 -31.05 72.1 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 103.911 -2.625 . . . . 0.0 103.911 166.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.92 147.92 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.17 2.588 . . . . 0.0 107.4 173.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 73.84 -63.66 0.42 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.334 1.854 . . . . 0.0 106.809 -175.242 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tptm . . . . . 0 N--CA 1.439 -1.003 1 C-N-CA 133.323 4.649 . . . . 0.0 110.565 176.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.41 142.85 34.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.145 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -15.23 57.1 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.849 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.28 -55.27 4.6 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.396 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 mt -69.09 -27.29 65.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 p -157.7 97.28 1.57 Allowed 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 177.027 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.97 61.47 0.42 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -174.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -84.72 133.47 34.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 175.048 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -74.8 90.13 2.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.475 0.71 . . . . 0.0 112.426 -176.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -78.75 124.16 27.91 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -49.26 -36.79 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.442 1.097 . . . . 0.0 113.906 -177.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -145.8 158.94 43.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.267 0.556 . . . . 0.0 111.755 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.24 -33.4 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 111.589 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.494 0.717 . . . . 0.0 109.456 177.587 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.46 95.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 16' ' ' LEU . 1.3 tm? -58.0 -59.44 5.26 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 123.419 0.688 . . . . 0.0 109.732 178.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 p -58.62 -42.73 88.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.679 -0.638 . . . . 0.0 109.954 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -56.7 -42.61 79.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -62.77 -43.18 99.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 177.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.51 4.49 0.24 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -60.79 -29.89 69.72 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 167.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.57 147.0 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 128.992 2.917 . . . . 0.0 107.72 174.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 73.15 -61.02 0.52 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.888 1.675 . . . . 0.0 108.502 -176.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? . . . . . 0 N--CA 1.446 -0.659 0 C-N-CA 128.109 2.564 . . . . 0.0 110.868 179.742 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -132.34 149.06 52.43 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.079 0.552 . . . . 0.0 109.764 -178.472 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -82.16 -30.99 30.71 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 124.013 0.925 . . . . 0.0 112.114 -179.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.5 -49.56 3.64 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.5 mt -70.48 -14.82 62.68 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 117.8 0.8 . . . . 0.0 110.72 179.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 p -161.35 125.71 3.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 175.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 58.78 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -91.7 144.21 25.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -96.13 126.37 41.31 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.733 1.213 . . . . 0.0 108.993 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -116.22 127.32 54.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.824 1.25 . . . . 0.0 108.937 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.0 m -66.31 -32.29 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.879 0.471 . . . . 0.0 111.847 -178.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -141.09 147.8 39.12 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.731 0.813 . . . . 0.0 110.035 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -56.25 -33.52 65.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.85 0.86 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -44.78 84.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.803 1.241 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.35 90.42 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.67 -40.89 96.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 O-C-N 122.247 -0.283 . . . . 0.0 110.319 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -52.72 -42.46 64.88 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.849 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -73.86 -22.21 59.83 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 175.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -71.96 -30.35 65.2 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 120.676 -1.265 . . . . 0.0 110.284 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.34 6.8 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 178.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -57.88 -37.98 74.93 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 168.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.425 HG23 ' CE1' ' A' ' 23' ' ' HIS . 1.5 m -89.32 147.4 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 175.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CE1' HG23 ' A' ' 22' ' ' VAL . 2.9 m-70 72.77 -61.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 109.989 -177.021 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp . . . . . 0 N--CA 1.445 -0.689 0 C-N-CA 126.959 2.104 . . . . 0.0 111.063 -179.14 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.73 133.89 36.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.4 -52.44 37.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.26 1.424 . . . . 0.0 114.822 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.24 -51.26 0.74 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -178.176 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.97 -17.94 60.94 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -156.19 -157.16 0.69 Allowed 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -114.27 -110.02 0.36 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.367 0.667 . . . . 0.0 110.697 -177.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 62.11 110.85 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.875 2.07 . . . . 0.0 110.154 -178.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 m -75.03 87.41 2.36 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.127 -0.983 . . . . 0.0 111.481 -178.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' CD2' HD22 ' A' ' 16' ' ' LEU . 86.9 m-85 -76.77 112.32 13.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.193 0.597 . . . . 0.0 110.127 179.622 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -47.03 -42.6 6.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.096 1.358 . . . . 0.0 113.53 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.94 156.4 36.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 122.282 1.039 . . . . 0.0 112.364 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.35 -26.47 68.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.549 176.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 p -65.08 -53.23 48.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.68 83.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 110.149 177.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -58.71 -53.54 57.23 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.09 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -56.06 -46.4 78.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.802 -0.561 . . . . 0.0 110.013 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -57.89 -42.24 84.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 22' ' ' VAL . 59.6 t60 -60.04 -34.73 73.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.759 -0.588 . . . . 0.0 110.129 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -62.42 2.12 0.29 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 120.003 1.274 . . . . 0.0 114.032 175.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.48 -29.26 68.94 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 169.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 19' ' ' HIS . 1.1 m -95.36 149.58 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 174.803 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.08 -63.9 0.26 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 128.014 2.526 . . . . 0.0 112.202 -178.111 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tptm . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -175.361 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 147.45 33.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.587 0.355 . . . . 0.0 110.832 -178.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 t -81.86 110.07 16.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.022 0.929 . . . . 0.0 111.596 -179.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.09 -23.4 11.86 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-N 118.265 0.484 . . . . 0.0 114.056 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.7 mt -92.31 -16.98 25.35 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.289 1.035 . . . . 0.0 113.606 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 p -158.46 17.69 0.21 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.643 1.565 . . . . 0.0 115.208 -177.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 35.48 36.58 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.302 3.041 . . . . 0.0 117.036 177.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -75.16 141.74 43.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 173.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -86.19 132.2 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.337 1.055 . . . . 0.0 111.261 -178.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.624 ' CE2' HD23 ' A' ' 16' ' ' LEU . 92.7 m-85 -127.77 125.19 39.42 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 124.457 1.103 . . . . 0.0 109.634 178.758 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.89 -37.35 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 124.771 1.228 . . . . 0.0 112.845 -179.578 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -144.51 158.65 43.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.09 0.556 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -53.46 22.56 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -176.772 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -47.21 56.32 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.248 0.931 . . . . 0.0 112.822 -175.5 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.94 -46.03 78.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.145 0.578 . . . . 0.0 110.009 178.36 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 10' ' ' PHE . 1.1 tm? -65.21 -48.67 72.57 Favored 'General case' 0 N--CA 1.438 -1.035 0 O-C-N 121.898 -0.501 . . . . 0.0 110.864 179.77 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -54.4 -46.95 73.23 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.491 -0.756 . . . . 0.0 109.362 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -58.79 -40.62 84.55 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.163 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 22' ' ' VAL . 49.6 t60 -59.8 -34.68 73.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.626 -179.83 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.64 0.82 0.45 Allowed 'General case' 0 C--N 1.342 0.277 0 CA-C-N 120.2 1.363 . . . . 0.0 114.644 176.645 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -66.23 -30.76 71.27 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.089 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 19' ' ' HIS . 1.7 m -81.39 153.51 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 172.727 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 74.79 -65.42 0.34 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.738 1.615 . . . . 0.0 108.539 -175.408 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 CA--C 1.535 0.367 0 C-N-CA 128.172 2.589 . . . . 0.0 112.409 -177.514 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 N--CA 1.457 -0.119 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -107.38 142.21 37.55 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.317 1.047 . . . . 0.0 109.578 -178.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -19.16 34.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.748 0.819 . . . . 0.0 112.645 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.34 -53.93 4.5 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.132 -0.98 . . . . 0.0 111.177 179.177 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.7 -16.99 62.84 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.749 0.774 . . . . 0.0 110.309 178.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -164.3 121.36 1.66 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 176.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -77.21 58.93 1.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.493 -0.754 . . . . 0.0 112.588 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -89.5 136.29 33.12 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 174.27 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -83.38 120.31 25.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.617 0.767 . . . . 0.0 111.387 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 16' ' ' LEU . 92.9 m-85 -111.9 142.52 44.19 Favored 'General case' 0 C--O 1.228 -0.062 0 C-N-CA 124.431 1.093 . . . . 0.0 109.74 178.67 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.39 -34.57 69.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -153.95 167.67 28.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.483 0.659 . . . . 0.0 112.514 -178.761 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -52.9 -40.41 63.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.351 1.46 . . . . 0.0 110.48 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -56.82 -54.77 42.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.707 -0.621 . . . . 0.0 110.052 178.049 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.28 88.3 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -56.31 -52.27 65.15 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.659 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -58.27 -45.18 88.35 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.851 -0.531 . . . . 0.0 110.3 -179.464 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -58.3 -44.24 88.45 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -62.24 -36.41 81.94 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.366 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -63.13 0.88 0.53 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.725 2.057 . . . . 0.0 114.654 174.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -59.85 -32.96 71.18 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 168.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.6 t -77.74 142.86 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 C-N-CA 128.482 2.713 . . . . 0.0 106.339 175.447 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 -70.74 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 127.229 2.212 . . . . 0.0 113.572 178.099 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp . . . . . 0 CA--C 1.536 0.431 0 C-N-CA 124.058 0.943 . . . . 0.0 111.708 -174.329 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.457 -0.123 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -101.29 130.37 47.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.668 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -12.58 61.6 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.56 -55.39 4.42 Favored Glycine 0 CA--C 1.526 0.781 0 O-C-N 120.91 -1.119 . . . . 0.0 111.706 178.112 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.24 -28.81 67.55 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.23 108.12 2.97 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 103.312 -2.848 . . . . 0.0 103.312 175.673 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.37 56.41 1.07 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -174.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -77.15 123.9 27.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.633 -2.729 . . . . 0.0 103.633 173.837 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -76.25 90.27 3.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.106 0.562 . . . . 0.0 112.332 -176.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -78.42 132.71 37.43 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.5 t -60.84 -40.59 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 C-N-CA 124.458 1.103 . . . . 0.0 112.085 -178.204 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -126.74 157.45 39.09 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.41 0.684 . . . . 0.0 112.448 -177.682 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -24.07 67.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.106 176.578 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -64.75 -57.12 9.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 178.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.35 -43.95 71.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.701 177.361 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -54.17 50.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.063 0.545 . . . . 0.0 109.734 178.289 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -56.5 -45.0 81.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.754 -0.591 . . . . 0.0 109.995 -179.573 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -57.84 -45.95 85.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.065 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.62 -35.14 73.77 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.521 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -64.12 1.76 0.66 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 121.867 2.121 . . . . 0.0 114.909 174.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.5 mtp85 -60.89 -30.58 70.25 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 168.02 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.25 17.2 t -79.55 144.54 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 C-N-CA 127.857 2.463 . . . . 0.0 106.606 176.141 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.71 -46.65 0.39 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 176.002 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 125.032 1.333 . . . . 0.0 113.843 -171.399 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 . . . . . 0 C--O 1.233 0.217 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -140.04 154.22 47.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.835 1.654 . . . . 0.0 106.969 177.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.59 -33.07 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.01 -49.35 3.99 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -75.02 1.45 12.96 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 117.494 0.647 . . . . 0.0 110.365 176.575 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.1 p -179.35 153.37 0.58 Allowed 'General case' 0 N--CA 1.44 -0.972 1 C-N-CA 131.969 4.108 . . . . 0.0 101.71 177.228 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -102.72 40.4 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.573 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -72.68 141.82 48.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 172.825 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 t -95.85 142.23 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.014 0.526 . . . . 0.0 110.03 -178.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.747 ' CD1' HD12 ' A' ' 16' ' ' LEU . 53.6 m-85 -142.61 132.0 23.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.981 0.512 . . . . 0.0 111.921 -177.828 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -84.42 -42.63 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.394 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.47 114.7 25.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.057 1.343 . . . . 0.0 110.608 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.99 73.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.353 0.261 . . . . 0.0 110.482 178.186 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.2 -48.82 79.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.955 0.902 . . . . 0.0 110.404 178.902 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.14 84.86 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -61.68 -44.42 96.97 Favored 'General case' 0 N--CA 1.437 -1.116 0 O-C-N 121.947 -0.471 . . . . 0.0 111.604 178.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -53.92 -47.38 71.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.587 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -65.32 -32.0 73.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.477 176.679 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -67.85 -28.25 67.38 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.179 0.9 . . . . 0.0 110.162 -176.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -51.82 -25.35 7.57 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.132 178.015 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -43.15 -34.63 1.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.206 1.002 . . . . 0.0 112.836 178.097 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.85 -30.49 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.203 0.911 . . . . 0.0 112.493 -179.542 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -105.92 -57.12 2.09 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.681 1.193 . . . . 0.0 110.758 -177.268 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 tptt . . . . . 0 N--CA 1.446 -0.638 0 C-N-CA 129.757 3.223 . . . . 0.0 112.294 -177.426 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 146.58 35.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.653 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.2 -51.12 5.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.871 0.868 . . . . 0.0 111.4 -178.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.34 -50.07 0.81 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.45 -20.23 60.76 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.851 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 p -161.58 -157.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 102.621 -3.103 . . . . 0.0 102.621 175.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -165.78 111.61 0.88 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.967 1.307 . . . . 0.0 108.612 -178.763 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 47.4 mtp180 -136.58 146.81 46.54 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.678 1.991 . . . . 0.0 105.862 178.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -71.94 64.23 0.5 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -173.801 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HD2' HD12 ' A' ' 16' ' ' LEU . 42.7 m-85 -78.77 83.36 4.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.284 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 p -41.06 -36.92 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 126.647 1.979 . . . . 0.0 114.457 -177.271 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -118.62 138.04 52.86 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.028 0.931 . . . . 0.0 110.571 179.558 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -48.61 -39.57 24.46 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.284 1.034 . . . . 0.0 112.221 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -55.15 -44.8 75.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.703 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.63 78.78 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.495 HD12 ' HD2' ' A' ' 10' ' ' PHE . 1.6 tt -74.52 -40.83 61.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 O-C-N 121.461 -0.774 . . . . 0.0 110.453 -179.642 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -51.82 -45.33 63.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.658 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -65.87 -38.92 90.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.587 175.279 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CG ' ' CE2' ' A' ' 10' ' ' PHE . 32.7 t60 -59.34 -30.63 68.51 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 120.838 1.654 . . . . 0.0 112.092 -178.798 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -55.19 -11.81 0.81 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.247 0.93 . . . . 0.0 113.04 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -47.27 -39.23 13.95 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.591 1.087 . . . . 0.0 109.759 173.024 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.69 -23.91 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.088 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.47 89.55 0.84 Allowed 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.409 1.083 . . . . 0.0 110.776 -179.206 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.2 mttp . . . . . 0 CA--C 1.536 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 111.071 -179.945 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -89.69 139.32 30.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.149 0.58 . . . . 0.0 111.153 -178.662 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.24 -27.5 60.8 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.242 0.617 . . . . 0.0 112.113 178.483 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.26 -55.01 4.81 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -178.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.29 -34.22 72.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.506 0.653 . . . . 0.0 109.999 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.0 p -151.13 80.41 1.31 Allowed 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 178.125 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -48.75 63.17 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.114 3.366 . . . . 0.0 117.694 -174.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -95.62 142.93 27.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 173.529 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -88.17 112.56 22.87 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.268 1.427 . . . . 0.0 111.123 -177.874 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 86.4 m-85 -99.32 140.23 33.79 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.902 0.881 . . . . 0.0 112.366 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.2 55.44 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 129.93 3.292 . . . . 0.0 109.414 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 113.58 150.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 131.455 3.902 . . . . 0.0 113.222 176.687 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -53.83 -32.02 51.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.19 173.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.55 -45.92 63.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.696 1.598 . . . . 0.0 111.093 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.71 59.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' A' ' 10' ' ' PHE . 3.6 tp -59.97 -35.94 76.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.514 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -50.86 -41.01 57.57 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.611 -0.68 . . . . 0.0 109.255 177.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -76.43 -30.58 57.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.714 0.805 . . . . 0.0 109.824 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 16' ' ' LEU . 81.4 t60 -66.35 -39.63 89.31 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 119.903 1.229 . . . . 0.0 109.552 179.541 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -53.24 -25.43 14.2 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 120.136 1.335 . . . . 0.0 112.842 179.12 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -47.25 -32.42 4.55 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.538 1.063 . . . . 0.0 111.058 176.662 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.79 -33.77 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 127.326 2.25 . . . . 0.0 111.905 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.86 -58.6 2.12 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.343 1.457 . . . . 0.0 109.328 -177.637 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 tttt . . . . . 0 N--CA 1.446 -0.663 0 C-N-CA 131.508 3.923 . . . . 0.0 115.098 179.437 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.438 ' HB3' HD13 ' A' ' 16' ' ' LEU . 2.7 m-30 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 123.61 24.22 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.05 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -18.13 29.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.283 1.033 . . . . 0.0 109.111 178.711 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.99 -54.87 1.34 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 106.355 -2.698 . . . . 0.0 106.355 -179.088 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mp -76.1 -30.39 58.25 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.37 -144.02 0.14 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 176.634 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -174.41 135.36 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.923 2.089 . . . . 0.0 107.26 -175.373 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.427 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 mpt_? -150.89 146.19 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.481 1.513 . . . . 0.0 109.709 176.615 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -75.69 56.52 0.92 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.683 1.193 . . . . 0.0 113.592 -177.761 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' A' ' 16' ' ' LEU . 85.5 m-85 -75.65 -39.41 57.74 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.956 -0.465 . . . . 0.0 110.587 178.229 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.257 0.3 OUTLIER 70.62 -30.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.824 2.85 . . . . 0.0 112.651 -177.711 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.64 105.96 16.59 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.91 1.684 . . . . 0.0 108.569 176.518 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -44.23 -43.85 7.52 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.333 1.453 . . . . 0.0 112.297 177.554 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -62.66 -48.76 77.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.952 0.501 . . . . 0.0 110.544 -179.241 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.32 78.33 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -57.65 -55.54 33.51 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.652 178.054 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -54.13 -40.97 67.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 109.044 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.93 -29.6 70.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -62.89 -44.32 96.4 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 119.442 1.019 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -49.58 -19.25 0.55 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -48.42 -37.97 18.48 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.852 1.206 . . . . 0.0 108.289 173.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG13 ' CD2' ' A' ' 23' ' ' HIS . 3.6 p -50.63 -34.42 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 128.064 2.546 . . . . 0.0 113.435 177.863 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.438 ' CD2' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -154.9 65.18 0.65 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.334 1.454 . . . . 0.0 108.552 179.526 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.543 1.137 . . . . 0.0 110.002 -179.398 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -61.84 120.88 11.59 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -85.11 124.87 32.28 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.3 t -55.55 -22.67 22.75 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.896 1.678 . . . . 0.0 114.489 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.92 -53.71 4.62 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.5 mt -70.15 -36.62 74.86 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 117.392 0.596 . . . . 0.0 109.898 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -137.13 8.33 2.94 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 38.59 25.73 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 118.571 2.804 . . . . 0.0 118.571 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.52 131.17 45.74 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 174.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -79.37 92.92 5.24 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.659 1.184 . . . . 0.0 112.806 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -83.43 112.78 20.25 Favored 'General case' 0 C--O 1.226 -0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 109.805 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 p -47.68 -36.48 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 124.684 1.194 . . . . 0.0 114.01 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -124.33 143.48 50.55 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.164 0.986 . . . . 0.0 111.399 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -61.8 -28.86 69.76 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.103 0.961 . . . . 0.0 111.531 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.5 -52.22 66.51 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.03 92.79 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.85 178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.22 -50.78 72.36 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 118.645 0.657 . . . . 0.0 109.463 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.4 m -55.68 -52.9 62.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -44.97 78.44 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.632 0.773 . . . . 0.0 110.234 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -56.59 -29.79 62.47 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.974 0.91 . . . . 0.0 111.049 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -56.65 -18.49 12.35 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 120.739 1.608 . . . . 0.0 113.859 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -29.31 15.22 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 121.116 1.78 . . . . 0.0 110.647 176.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.0 t -63.52 -24.98 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 127.675 2.39 . . . . 0.0 112.892 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -133.16 -48.57 0.85 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.727 0.811 . . . . 0.0 112.231 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 41.84 43.82 2.66 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 129.233 3.013 . . . . 0.0 112.635 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 54.61 31.85 15.92 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.415 1.086 . . . . 0.0 111.734 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.154 0 O-C-N 121.145 -0.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.015 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -78.33 117.56 19.69 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -84.73 120.66 26.66 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.1 t -65.58 113.18 4.02 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.71 -34.65 3.9 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-N 118.927 0.785 . . . . 0.0 114.083 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.1 mt -82.01 -18.65 42.61 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.522 1.305 . . . . 0.0 114.522 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.7 p -159.41 18.54 0.17 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 121.096 1.771 . . . . 0.0 114.945 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 33.46 34.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 130.454 3.502 . . . . 0.0 118.269 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -75.25 136.48 40.94 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 104.592 -2.373 . . . . 0.0 104.592 173.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -81.74 98.73 8.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.213 1.405 . . . . 0.0 112.445 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.481 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 90.5 m-85 -85.81 141.02 29.95 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.352 0.661 . . . . 0.0 111.595 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.8 p -53.72 -40.83 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 C-N-CA 126.859 2.064 . . . . 0.0 112.989 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -153.08 163.27 40.16 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.802 0.728 . . . . 0.0 111.492 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -53.03 -32.48 47.0 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.247 1.419 . . . . 0.0 113.17 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 p -63.37 -58.71 6.21 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.17 -42.39 69.6 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.664 0.786 . . . . 0.0 109.839 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -57.62 -56.26 24.21 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 123.27 0.628 . . . . 0.0 109.746 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.6 m -55.04 -50.46 69.03 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.047 0.539 . . . . 0.0 109.892 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtp85 -58.59 -43.41 89.48 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.951 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.481 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.0 t60 -58.29 -28.26 64.82 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.082 -176.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -51.52 -26.49 8.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 119.184 0.902 . . . . 0.0 111.961 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -43.28 -34.88 1.29 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.252 1.021 . . . . 0.0 113.531 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -62.91 -33.07 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 119.136 0.88 . . . . 0.0 111.66 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -100.1 -53.74 3.06 Favored 'General case' 0 C--O 1.227 -0.121 0 C-N-CA 124.383 1.073 . . . . 0.0 110.395 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? 41.6 44.89 2.75 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 129.172 2.989 . . . . 0.0 111.598 -175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -68.62 127.31 32.58 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.751 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 122.064 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -74.26 125.51 28.59 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -93.3 127.05 38.73 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.8 t -62.68 114.34 3.54 Favored 'General case' 0 C--O 1.224 -0.274 0 O-C-N 121.774 -0.579 . . . . 0.0 110.254 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.0 -39.95 5.36 Favored Glycine 0 CA--C 1.536 1.37 0 CA-C-N 118.912 0.778 . . . . 0.0 113.656 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.16 -20.82 47.53 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.6 p -156.82 19.08 0.32 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 121.417 1.917 . . . . 0.0 114.917 -177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 31.04 41.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 130.013 3.325 . . . . 0.0 117.546 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 78.6 mtt-85 -82.14 139.46 34.35 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 171.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -84.23 125.0 31.81 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.295 1.038 . . . . 0.0 112.394 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.5 m-85 -121.43 121.84 38.45 Favored 'General case' 0 CA--C 1.523 -0.088 0 C-N-CA 125.117 1.367 . . . . 0.0 107.663 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.2 m -60.6 -37.97 76.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -115.81 148.08 40.28 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.946 0.879 . . . . 0.0 112.615 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -58.03 -36.37 72.63 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.033 1.333 . . . . 0.0 110.199 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.28 66.14 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.689 0.795 . . . . 0.0 108.95 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.59 96.5 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -56.83 -53.85 53.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 118.466 0.576 . . . . 0.0 109.622 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -57.16 -50.2 73.57 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.463 0.705 . . . . 0.0 109.942 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.2 ttp85 -62.04 -36.52 81.85 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 122.274 -0.266 . . . . 0.0 111.113 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 32.0 t60 -61.5 -27.93 68.94 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 121.647 -0.658 . . . . 0.0 111.261 -178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -51.65 -25.94 8.1 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 119.125 0.875 . . . . 0.0 112.284 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -47.77 -30.18 3.73 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.89 0.876 . . . . 0.0 113.044 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.02 -34.37 66.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 119.992 1.269 . . . . 0.0 111.149 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -95.29 -55.2 3.14 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 124.085 0.954 . . . . 0.0 109.551 -177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.53 32.2 0.14 Allowed 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 129.533 3.133 . . . . 0.0 114.27 -176.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -78.43 65.69 3.8 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.424 -0.798 . . . . 0.0 110.209 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 O-C-N 121.941 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.043 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -72.76 113.78 10.18 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -101.52 141.33 34.54 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.858 0.863 . . . . 0.0 110.262 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.5 t -67.39 116.27 7.95 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 123.809 0.844 . . . . 0.0 109.603 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.74 -35.48 38.67 Favored Glycine 0 CA--C 1.532 1.151 0 CA-C-N 117.87 0.305 . . . . 0.0 112.372 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.7 mt -79.29 -12.4 59.94 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.581 0.752 . . . . 0.0 112.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . 0.324 25.5 p -155.01 -99.51 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.733 1.151 . . . . 0.0 111.407 177.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -164.52 -125.25 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 120.727 1.603 . . . . 0.0 108.888 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 60.76 119.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.954 2.102 . . . . 0.0 112.562 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 p -78.56 97.38 5.74 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 120.66 -1.275 . . . . 0.0 109.524 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 82.3 m-85 -82.3 -39.43 22.92 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 122.877 0.471 . . . . 0.0 112.11 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 70.6 -32.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 127.972 2.509 . . . . 0.0 113.729 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.34 123.22 43.44 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.463 1.505 . . . . 0.0 108.74 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -57.75 -31.78 66.82 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 122.576 0.351 . . . . 0.0 111.048 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 p -64.59 -53.48 47.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.79 87.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.112 0.565 . . . . 0.0 109.682 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.68 -54.97 39.96 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.087 0.955 . . . . 0.0 109.574 178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.2 m -56.29 -46.6 79.68 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.53 0.732 . . . . 0.0 110.563 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -64.75 -36.54 84.62 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 119.397 -0.335 . . . . 0.0 111.063 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.2 t60 -62.74 -29.68 70.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.427 1.012 . . . . 0.0 110.903 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -51.18 -26.54 7.03 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 117.734 -1.127 . . . . 0.0 113.878 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.6 mmp_? -46.33 -31.48 2.6 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.68 1.127 . . . . 0.0 113.635 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -60.18 -33.92 55.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.198 0.908 . . . . 0.0 111.427 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -101.22 -50.46 3.77 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 124.704 1.202 . . . . 0.0 110.256 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? 45.79 30.59 0.87 Allowed 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 129.581 3.152 . . . . 0.0 113.794 -176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 62.42 -63.31 0.1 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.991 2.117 . . . . 0.0 113.808 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 O-C-N 121.598 -0.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -65.34 125.06 23.91 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -93.96 133.09 37.77 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.265 1.026 . . . . 0.0 108.953 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.9 t -63.99 -49.07 73.93 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.87 -49.9 1.39 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -71.83 -18.55 62.07 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.0 p -157.8 -162.43 1.17 Allowed 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 101.904 -3.369 . . . . 0.0 101.904 174.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.79 102.33 2.99 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.622 0.725 . . . . 0.0 110.668 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -139.18 128.0 23.46 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 101.896 -3.372 . . . . 0.0 101.896 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -79.48 93.96 5.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.905 0.882 . . . . 0.0 110.453 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.402 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 76.9 m-85 -80.2 135.64 36.31 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.961 0.41 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.44 -36.96 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 125.459 1.503 . . . . 0.0 114.017 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -149.85 164.14 36.15 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 119.012 0.824 . . . . 0.0 112.321 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -51.42 -40.51 59.49 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.772 1.229 . . . . 0.0 111.21 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.51 -51.97 67.29 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.052 0.941 . . . . 0.0 110.101 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.43 93.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.294 0.637 . . . . 0.0 110.176 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.57 -52.46 63.32 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.381 1.072 . . . . 0.0 109.856 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 t -57.09 -53.02 62.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.326 1.051 . . . . 0.0 108.282 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -43.27 74.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.041 0.536 . . . . 0.0 109.57 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 37.4 t60 -58.79 -29.27 66.71 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.365 0.529 . . . . 0.0 111.596 -178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.0 mm-40 -53.24 -25.0 12.67 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 119.452 1.023 . . . . 0.0 111.961 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -44.72 -33.86 2.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.025 0.93 . . . . 0.0 112.782 178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.3 m -65.53 -32.79 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 119.231 0.923 . . . . 0.0 112.327 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -100.93 -53.08 3.14 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.081 0.953 . . . . 0.0 110.759 -176.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? 32.51 52.51 0.28 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 130.141 3.376 . . . . 0.0 111.742 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 44.55 34.07 1.04 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.495 1.518 . . . . 0.0 113.925 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.15 0 O-C-N 121.483 -0.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -78.54 146.08 34.48 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -147.61 150.39 34.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HB2' HD21 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -98.6 124.09 43.17 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.669 1.588 . . . . 0.0 109.371 -179.398 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.86 -36.52 55.64 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 123.267 0.461 . . . . 0.0 113.175 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.2 mt -75.39 -19.36 59.58 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.25 0.62 . . . . 0.0 112.294 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.4 p -165.64 105.04 0.71 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -67.92 58.01 0.07 Allowed 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -174.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -82.53 132.66 35.19 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 p -81.92 101.89 10.55 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.306 1.042 . . . . 0.0 111.172 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.709 ' CD2' HD23 ' A' ' 16' ' ' LEU . 88.7 m-85 -97.0 126.01 41.82 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 124.41 1.084 . . . . 0.0 109.576 178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 16.6 m -65.44 -27.6 42.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -137.31 151.38 48.58 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.761 0.791 . . . . 0.0 112.799 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -59.01 -40.82 86.08 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.399 1.48 . . . . 0.0 111.463 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.28 -54.7 40.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.162 1.385 . . . . 0.0 109.46 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.38 -50.89 66.47 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.753 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.709 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.5 tm? -59.55 -43.94 93.39 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 120.952 0.406 . . . . 0.0 111.621 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 m -58.66 -43.63 89.93 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -63.64 -39.44 94.36 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -58.39 -35.58 72.24 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.521 -0.737 . . . . 0.0 110.709 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -55.07 -14.17 1.47 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -56.21 -26.57 51.55 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 120.782 1.628 . . . . 0.0 110.939 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.52 -25.39 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 CA-C-N 119.968 1.258 . . . . 0.0 111.182 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.24 82.56 1.13 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.362 1.465 . . . . 0.0 108.149 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -71.09 64.91 0.36 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.612 1.565 . . . . 0.0 111.089 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -77.17 -35.63 55.77 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 125.678 1.591 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.162 0 O-C-N 121.867 -0.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.034 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -124.63 138.89 54.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.752 1.221 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -100.91 133.36 45.51 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.474 0.71 . . . . 0.0 109.141 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -73.0 109.97 6.93 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 119.343 -0.36 . . . . 0.0 110.114 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.29 -39.0 3.96 Favored Glycine 0 CA--C 1.534 1.277 0 CA-C-N 118.762 0.71 . . . . 0.0 113.924 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -75.83 -20.84 57.84 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.5 p -154.92 15.12 0.42 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.265 1.848 . . . . 0.0 114.988 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 43.72 17.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 129.557 3.143 . . . . 0.0 117.635 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -63.85 138.64 58.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 173.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.5 m -93.15 116.87 29.44 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 124.275 1.03 . . . . 0.0 110.053 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -105.56 126.05 51.69 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.538 1.535 . . . . 0.0 109.044 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.8 p -50.75 -33.1 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.555 1.542 . . . . 0.0 114.051 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -143.75 155.22 44.11 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.528 0.68 . . . . 0.0 111.116 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -56.49 -33.66 66.19 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.312 1.045 . . . . 0.0 110.806 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.13 -53.48 57.58 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.397 0.679 . . . . 0.0 109.541 177.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.6 99.52 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.21 -53.83 51.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 123.282 0.633 . . . . 0.0 109.801 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.0 m -58.03 -52.68 64.51 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -56.58 -37.38 70.52 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 119.347 -0.359 . . . . 0.0 111.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -67.03 -25.68 66.4 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.309 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -51.32 -27.43 9.56 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 119.507 1.049 . . . . 0.0 113.67 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -41.75 -35.87 0.88 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.264 1.026 . . . . 0.0 113.619 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -62.61 -31.47 52.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 118.99 0.813 . . . . 0.0 112.197 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -103.76 -53.71 2.71 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 124.804 1.241 . . . . 0.0 109.864 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 tttp 47.05 48.39 15.6 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 128.92 2.888 . . . . 0.0 111.193 -177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.02 -45.75 0.09 Allowed 'General case' 0 C--O 1.227 -0.113 0 C-N-CA 123.612 0.765 . . . . 0.0 110.094 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 118.081 0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -77.23 148.81 35.62 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -132.62 145.61 51.23 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -26.76 52.22 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.685 1.194 . . . . 0.0 112.471 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.68 -51.79 3.79 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.31 -0.869 . . . . 0.0 111.765 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.38 -24.43 64.78 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 117.798 0.799 . . . . 0.0 109.737 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.9 p -150.55 108.85 3.77 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 102.725 -3.065 . . . . 0.0 102.725 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.0 59.27 0.16 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -173.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.1 mtp-105 -93.68 141.78 28.1 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 m -90.27 118.4 29.75 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 124.061 0.944 . . . . 0.0 110.615 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CD2' HD23 ' A' ' 16' ' ' LEU . 94.4 m-85 -108.46 120.75 43.32 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.186 1.394 . . . . 0.0 109.521 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.8 m -66.69 -33.31 62.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.779 -0.191 . . . . 0.0 111.504 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -125.75 138.52 53.87 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.145 0.978 . . . . 0.0 111.354 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.16 -27.23 68.81 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.835 0.854 . . . . 0.0 112.389 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -59.96 -58.21 9.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.716 1.206 . . . . 0.0 108.637 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -47.86 68.93 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.475 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.664 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.5 tm? -59.56 -48.68 80.71 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 122.208 -0.308 . . . . 0.0 111.402 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 m -56.35 -46.66 79.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 48.9 tpt85 -60.14 -37.83 81.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.526 0.33 . . . . 0.0 110.113 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -65.58 -36.3 83.36 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.917 0.887 . . . . 0.0 108.908 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -57.48 -15.2 6.31 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 121.137 1.789 . . . . 0.0 114.133 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -57.04 -26.18 59.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 121.398 1.908 . . . . 0.0 110.018 174.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -63.23 -33.94 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 C-N-CA 126.737 2.015 . . . . 0.0 110.475 177.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.03 74.54 0.72 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.787 1.235 . . . . 0.0 108.89 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 66.52 2.27 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.096 0.958 . . . . 0.0 110.42 -178.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.71 67.05 0.77 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.553 1.141 . . . . 0.0 110.23 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 O-C-N 121.518 -0.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -117.8 149.0 41.54 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 127.605 2.362 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -112.54 134.17 54.21 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -24.23 65.85 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.18 -49.92 4.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 120.936 -1.103 . . . . 0.0 111.432 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.84 -21.14 61.0 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 122.157 -0.613 . . . . 0.0 110.057 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.5 p -160.34 120.86 2.93 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.273 -2.491 . . . . 0.0 104.273 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.36 65.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.414 1.085 . . . . 0.0 113.344 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -104.23 146.23 29.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 m -92.97 126.03 37.85 Favored 'General case' 0 CA--C 1.526 0.054 0 C-N-CA 123.249 0.619 . . . . 0.0 111.02 -177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' CD2' HD22 ' A' ' 16' ' ' LEU . 95.6 m-85 -118.4 118.57 32.12 Favored 'General case' 0 CA--C 1.52 -0.212 0 C-N-CA 124.564 1.146 . . . . 0.0 108.788 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.1 m -57.34 -36.26 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -132.97 157.1 46.02 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 122.066 0.936 . . . . 0.0 112.37 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.24 -22.84 66.92 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.373 176.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -63.95 -62.34 1.7 Allowed 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -45.02 30.05 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.391 0.676 . . . . 0.0 109.959 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -57.36 -56.59 19.88 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 123.329 0.652 . . . . 0.0 111.023 178.403 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.4 p -51.83 -46.78 64.47 Favored 'General case' 0 C--N 1.34 0.152 0 O-C-N 122.095 -0.378 . . . . 0.0 110.6 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -65.99 -40.21 91.0 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -60.1 -37.02 78.72 Favored 'General case' 0 N--CA 1.448 -0.567 0 O-C-N 121.566 -0.709 . . . . 0.0 111.485 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -47.37 -30.94 3.57 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.8 mmt-85 -49.22 -24.7 1.86 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.21 -35.13 74.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 120.384 1.447 . . . . 0.0 111.092 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -99.76 -47.14 5.17 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.55 1.14 . . . . 0.0 110.691 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.6 mttt 76.66 12.83 2.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 130.208 3.403 . . . . 0.0 112.0 -176.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.14 -39.43 11.59 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.639 1.176 . . . . 0.0 109.375 178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.12 0 O-C-N 122.203 -0.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -66.01 130.28 42.72 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -96.49 124.34 40.45 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -21.82 65.2 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 -50.9 4.26 Favored Glycine 0 CA--C 1.527 0.808 0 O-C-N 121.052 -1.03 . . . . 0.0 111.402 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.7 mt -67.97 -25.37 65.4 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.6 p -157.17 118.63 3.71 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 102.277 -3.231 . . . . 0.0 102.277 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.06 49.96 0.2 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 67.2 ttt-85 -89.05 144.65 25.99 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -86.42 129.53 34.82 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.683 1.193 . . . . 0.0 112.015 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.409 ' CD1' ' CD2' ' A' ' 16' ' ' LEU . 82.8 m-85 -123.48 135.7 54.2 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 124.665 1.186 . . . . 0.0 109.234 177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 m -79.21 -32.21 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.79 154.62 50.09 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 121.608 0.718 . . . . 0.0 112.612 -176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -57.91 -43.56 86.27 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.895 0.878 . . . . 0.0 110.723 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -54.65 -41.44 70.11 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.89 0.876 . . . . 0.0 111.02 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.05 88.13 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' CD2' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.57 -51.24 70.27 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 123.138 0.575 . . . . 0.0 109.612 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.0 m -50.41 -52.94 33.2 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.207 1.003 . . . . 0.0 109.391 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -62.36 -44.96 95.25 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -55.85 -36.25 67.33 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.947 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -52.16 -25.39 8.87 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 121.178 1.808 . . . . 0.0 113.655 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -49.93 -30.47 10.33 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.535 1.061 . . . . 0.0 111.083 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.95 -36.64 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 126.917 2.087 . . . . 0.0 111.933 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -109.59 -52.74 2.74 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 124.275 1.03 . . . . 0.0 109.955 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt 42.52 54.22 4.48 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 128.633 2.773 . . . . 0.0 111.292 -178.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -72.07 58.87 0.37 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.499 1.12 . . . . 0.0 112.662 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.189 0 O-C-N 121.157 -0.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -82.98 126.26 32.32 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -110.71 145.41 38.07 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.429 0.691 . . . . 0.0 111.058 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HA ' HD21 ' A' ' 16' ' ' LEU . 11.9 t -78.35 -25.34 46.31 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 126.052 1.741 . . . . 0.0 113.644 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.28 -52.13 4.02 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 121.229 -0.919 . . . . 0.0 111.007 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.48 -38.01 83.73 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.7 p -146.89 86.71 1.66 Allowed 'General case' 0 C--O 1.223 -0.308 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.46 59.07 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.838 2.855 . . . . 0.0 118.01 -174.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -84.25 127.39 33.92 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 104.69 -2.337 . . . . 0.0 104.69 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -84.47 96.13 9.01 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 122.925 0.49 . . . . 0.0 110.936 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.644 ' CD2' HD23 ' A' ' 16' ' ' LEU . 91.9 m-85 -84.87 137.1 33.35 Favored 'General case' 0 N--CA 1.457 -0.077 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -63.03 -41.82 94.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.927 0 C-N-CA 124.152 0.981 . . . . 0.0 110.539 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -120.96 146.86 46.21 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.203 1.001 . . . . 0.0 111.573 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -60.56 -35.54 76.31 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.657 0.783 . . . . 0.0 110.736 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.74 -51.88 58.68 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.756 0.822 . . . . 0.0 110.527 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -52.84 63.93 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.59 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.644 HD23 ' CD2' ' A' ' 10' ' ' PHE . 2.7 tm? -54.39 -46.55 73.12 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 111.801 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -60.54 -53.61 55.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -56.27 -39.67 73.0 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -60.72 -30.76 70.16 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.064 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -50.53 -32.94 19.81 Favored 'General case' 0 C--O 1.225 -0.221 0 CA-C-N 119.938 1.245 . . . . 0.0 112.979 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -36.02 -37.79 0.12 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.236 1.414 . . . . 0.0 114.331 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.3 m -56.61 -40.47 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 CA-C-N 118.717 0.689 . . . . 0.0 111.668 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -102.17 -50.54 3.61 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 124.447 1.099 . . . . 0.0 109.22 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 59.18 1.12 Allowed 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.294 1.438 . . . . 0.0 108.778 -176.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -64.54 -37.74 88.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.605 1.162 . . . . 0.0 111.127 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.192 0 O-C-N 121.889 -0.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -69.38 112.71 6.1 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.46 148.0 26.19 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.752 1.221 . . . . 0.0 108.989 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.96 -62.97 1.43 Allowed 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.77 -52.52 0.72 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 109.326 -1.509 . . . . 0.0 109.326 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.61 -15.67 60.82 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -159.83 -164.07 1.26 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 101.808 -3.404 . . . . 0.0 101.808 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.31 106.05 1.73 Allowed 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.495 -0.753 . . . . 0.0 112.267 -176.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -138.07 132.98 32.93 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 103.17 -2.9 . . . . 0.0 103.17 174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -74.91 86.57 2.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.188 0.595 . . . . 0.0 110.864 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -74.36 143.38 44.89 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 m -71.12 -31.96 46.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -177.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -140.25 153.83 46.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.318 0.58 . . . . 0.0 112.293 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -55.25 -37.1 66.78 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.928 0.891 . . . . 0.0 110.707 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -51.0 63.86 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.258 1.023 . . . . 0.0 110.243 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.88 -38.63 91.82 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.249 1.02 . . . . 0.0 110.088 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.44 -46.4 83.3 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 124.296 1.039 . . . . 0.0 110.052 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -59.76 -54.31 47.75 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.51 -46.57 70.15 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -55.86 -28.62 57.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.081 -0.961 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -59.32 -25.03 63.81 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-N 121.536 1.971 . . . . 0.0 112.331 177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -50.7 -26.36 5.42 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.148 1.34 . . . . 0.0 111.435 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.4 t -58.87 -37.17 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 C-N-CA 126.987 2.115 . . . . 0.0 111.388 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -124.37 -7.95 7.54 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.863 1.265 . . . . 0.0 114.264 -176.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -68.32 71.72 0.19 Allowed 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 124.741 1.216 . . . . 0.0 111.589 -173.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -69.22 69.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.662 1.585 . . . . 0.0 109.962 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 O-C-N 121.638 -0.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.02 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -72.1 132.97 44.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -114.06 148.79 36.49 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.104 0.962 . . . . 0.0 112.847 -176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' HB2' ' CD2' ' A' ' 16' ' ' LEU . 0.6 OUTLIER -99.39 111.77 24.07 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 174.577 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.59 -35.63 11.33 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 123.281 0.467 . . . . 0.0 114.015 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.6 mt -77.68 -21.23 52.37 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.454 0.702 . . . . 0.0 112.871 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -165.02 93.25 0.61 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -65.84 61.16 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -172.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.3 134.14 42.58 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 174.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -79.51 87.5 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.643 1.177 . . . . 0.0 111.29 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.53 ' CD2' HD23 ' A' ' 16' ' ' LEU . 86.0 m-85 -84.92 120.58 26.65 Favored 'General case' 0 C--O 1.228 -0.042 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.97 -34.07 43.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.313 0.645 . . . . 0.0 112.263 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 142.64 51.38 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.372 1.069 . . . . 0.0 110.426 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -60.24 -31.15 69.92 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.464 0.705 . . . . 0.0 112.304 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 m -53.76 -48.43 69.74 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.645 0.778 . . . . 0.0 111.302 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -50.77 70.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' A' ' 10' ' ' PHE . 2.9 tm? -53.99 -43.61 70.14 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.014 0.925 . . . . 0.0 110.748 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.0 m -61.75 -55.57 28.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -57.14 -34.23 68.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.314 0.246 . . . . 0.0 110.781 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -61.62 -25.04 67.11 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 117.667 -1.159 . . . . 0.0 109.233 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -65.77 -1.51 2.9 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 121.739 2.063 . . . . 0.0 113.115 175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.1 ptt-85 -60.4 -29.66 69.1 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.259 21.8 t -79.59 138.13 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.362 0 N-CA-C 103.527 -2.768 . . . . 0.0 103.527 172.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 72.41 -49.1 0.69 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttp 46.68 41.81 10.61 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 127.156 2.182 . . . . 0.0 112.453 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 56.97 27.47 13.24 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.092 0.957 . . . . 0.0 111.572 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.06 0 O-C-N 120.897 -1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.206 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -78.7 177.6 8.51 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 120.067 -1.646 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.85 79.6 1.61 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.143 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -57.98 -29.55 65.34 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.796 0.438 . . . . 0.0 110.26 178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.27 -51.11 4.52 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.2 mt -72.04 -16.4 62.04 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 p -171.47 -175.28 1.58 Allowed 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 103.241 -2.874 . . . . 0.0 103.241 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -150.65 105.5 3.3 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 127.342 2.257 . . . . 0.0 107.588 -178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 80.2 mtp180 -134.95 154.38 51.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.241 1.417 . . . . 0.0 107.567 177.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 m -77.68 78.28 4.18 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 8' ' ' ARG . 54.8 m-85 -87.82 -37.78 16.26 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.101 0.96 . . . . 0.0 110.128 175.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.259 9.2 m 57.3 -7.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 130.335 3.454 . . . . 0.0 117.051 178.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -132.25 131.56 42.2 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.502 1.121 . . . . 0.0 111.296 177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -45.87 -35.8 4.81 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.244 1.818 . . . . 0.0 113.022 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -62.2 2.03 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.285 1.434 . . . . 0.0 109.431 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.16 -43.87 87.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.711 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -58.37 -47.07 85.0 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.908 0.883 . . . . 0.0 110.336 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.9 t -58.69 -56.65 19.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -55.46 -38.92 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 O-C-N 122.387 -0.196 . . . . 0.0 110.624 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -59.92 -30.55 69.12 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 118.739 -0.648 . . . . 0.0 111.441 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -51.38 -27.62 10.43 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 119.836 1.198 . . . . 0.0 113.067 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -45.85 -31.39 2.09 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.016 0.826 . . . . 0.0 113.21 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -65.58 -30.79 51.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 119.869 1.213 . . . . 0.0 112.047 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -105.92 -54.9 2.41 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.374 1.07 . . . . 0.0 110.52 -177.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? 45.77 52.13 9.83 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 128.733 2.813 . . . . 0.0 110.366 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.0 t30 69.19 -57.24 0.53 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.28 1.832 . . . . 0.0 112.377 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 O-C-N 121.63 -0.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -73.82 143.48 45.93 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -118.7 125.37 49.53 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.34 66.12 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.553 0.741 . . . . 0.0 112.72 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.14 3.88 Favored Glycine 0 CA--C 1.527 0.827 0 O-C-N 121.301 -0.874 . . . . 0.0 111.516 178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.8 mt -68.28 -23.62 64.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 117.549 0.675 . . . . 0.0 109.353 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.3 p -155.81 114.61 3.49 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 103.957 -2.609 . . . . 0.0 103.957 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -71.77 61.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.402 1.481 . . . . 0.0 113.812 -175.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -99.06 141.53 31.7 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 p -82.79 108.47 16.17 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.128 1.371 . . . . 0.0 111.794 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 69.4 m-85 -102.87 102.65 12.76 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.691 0.796 . . . . 0.0 109.793 178.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 p -44.62 -38.25 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 C-N-CA 125.946 1.698 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -135.61 162.17 33.47 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 122.314 1.054 . . . . 0.0 112.33 -179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -58.04 -32.38 67.93 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 114.016 -1.447 . . . . 0.0 108.571 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 p -64.27 -54.76 28.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.26 69.0 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.031 0.932 . . . . 0.0 110.557 178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.95 -53.8 44.52 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 123.638 0.775 . . . . 0.0 109.448 178.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -53.69 -49.01 68.96 Favored 'General case' 0 CA--C 1.528 0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.795 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -57.44 -45.09 85.1 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 76.2 t60 -59.53 -31.28 69.25 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.355 178.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -64.17 1.71 0.68 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 122.045 2.202 . . . . 0.0 114.324 174.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -61.63 -27.08 68.4 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 168.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 21.9 t -82.85 143.1 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 0 C-N-CA 127.969 2.508 . . . . 0.0 104.921 174.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 72.24 -61.7 0.49 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.707 1.203 . . . . 0.0 112.537 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 56.29 33.43 22.24 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.099 2.16 . . . . 0.0 111.651 -177.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -165.43 166.13 18.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 117.914 0.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -81.23 178.61 8.29 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.628 1.571 . . . . 0.0 111.752 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -74.69 77.15 2.04 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.487 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -24.77 66.7 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 176.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.36 -54.53 4.19 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.066 0.841 . . . . 0.0 111.038 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.84 -14.46 60.29 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.94 0.37 . . . . 0.0 111.518 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -172.0 159.49 5.05 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -132.24 92.4 3.09 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 126.993 2.117 . . . . 0.0 108.185 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 61.8 mtp180 -115.19 155.29 27.44 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -72.8 73.96 1.12 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -175.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 54.2 m-85 -85.0 -38.63 19.0 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.935 0.894 . . . . 0.0 110.551 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.339 2.5 p 53.34 -0.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 130.634 3.573 . . . . 0.0 118.472 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -138.09 138.64 38.92 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 125.348 1.459 . . . . 0.0 110.381 176.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.65 -35.52 66.05 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.408 1.083 . . . . 0.0 111.353 -178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 p -59.49 -61.43 2.63 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.455 1.102 . . . . 0.0 109.046 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.95 -45.18 71.22 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.91 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -54.17 49.95 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 122.878 0.471 . . . . 0.0 109.814 178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -54.21 -46.73 72.54 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -59.81 -44.0 94.22 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 16.7 t60 -60.25 -36.16 77.14 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 118.801 -0.619 . . . . 0.0 110.431 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -55.84 -9.76 0.63 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.95 1.25 . . . . 0.0 113.435 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -55.19 -33.26 62.86 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.982 1.264 . . . . 0.0 109.266 172.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -72.26 -32.92 44.6 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 118.911 0.778 . . . . 0.0 110.596 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.44 101.32 2.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.261 1.024 . . . . 0.0 110.713 -179.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.5 72.89 1.91 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.304 1.041 . . . . 0.0 110.985 -178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -62.7 70.89 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.286 1.434 . . . . 0.0 112.366 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 O-C-N 121.115 -0.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -79.79 -178.96 6.67 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 120.081 -1.637 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -72.44 76.66 1.04 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.565 -178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.89 -24.13 61.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.969 0.508 . . . . 0.0 110.387 176.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.31 -52.01 4.65 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.2 -1.16 . . . . 0.0 110.2 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mp -75.74 -20.69 58.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 118.745 -0.645 . . . . 0.0 111.72 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.6 p -163.67 -19.65 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 38.73 55.4 1.96 Allowed 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -77.56 154.77 32.05 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 175.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -72.61 79.01 1.08 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.24 1.416 . . . . 0.0 113.738 -176.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' C ' ' H ' ' A' ' 12' ' ' GLU . 71.6 m-85 -93.36 -41.94 9.57 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 123.124 0.57 . . . . 0.0 110.515 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.274 18.2 m 61.87 -23.67 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.485 1 C-N-CA 132.22 4.208 . . . . 0.0 114.441 -179.247 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 10' ' ' PHE . 2.7 tm-20 -93.09 112.41 24.36 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 127.611 2.364 . . . . 0.0 108.64 177.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -45.47 -55.36 6.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.718 1.207 . . . . 0.0 112.881 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.08 -51.93 48.47 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.105 0.411 . . . . 0.0 110.984 -177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.08 -40.56 85.64 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.509 0.724 . . . . 0.0 110.41 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -61.32 -49.81 75.51 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 118.761 0.71 . . . . 0.0 109.819 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -47.85 84.35 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -54.78 -44.83 74.05 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.198 0.599 . . . . 0.0 109.62 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -58.13 -28.28 64.53 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.454 -178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -52.12 -28.23 17.05 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 120.418 1.463 . . . . 0.0 112.438 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -32.59 1.54 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.021 0.929 . . . . 0.0 113.228 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.2 m -63.17 -34.33 66.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 120.013 1.279 . . . . 0.0 111.889 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -101.57 -51.92 3.34 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 123.919 0.888 . . . . 0.0 110.606 -177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm 91.03 112.69 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 131.581 3.952 . . . . 0.0 107.654 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -71.33 55.21 0.22 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.566 1.146 . . . . 0.0 113.174 -178.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.945 -1.097 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -54.37 117.72 3.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.739 1.215 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -82.78 121.3 26.72 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.09 108.73 3.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -45.58 -34.64 5.17 Favored Glycine 0 CA--C 1.536 1.392 0 CA-C-N 118.833 0.742 . . . . 0.0 113.508 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.2 mt -79.98 -19.85 46.88 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.0 p -159.45 21.38 0.18 Allowed 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 121.159 1.8 . . . . 0.0 114.432 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.26 30.8 mt-10 35.34 23.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 131.139 3.776 . . . . 0.0 119.036 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -68.08 141.01 56.26 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -94.21 120.2 34.12 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.806 1.242 . . . . 0.0 109.05 -177.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.432 ' CD2' HD22 ' A' ' 16' ' ' LEU . 97.2 m-85 -109.91 138.89 45.65 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 124.692 1.197 . . . . 0.0 112.496 -177.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 m -47.03 -45.23 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.459 1.504 . . . . 0.0 113.089 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.74 162.23 41.11 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.976 0.417 . . . . 0.0 111.272 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -32.97 45.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.842 0.857 . . . . 0.0 111.835 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.62 -47.77 84.28 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.533 0.733 . . . . 0.0 109.759 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.0 92.88 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.432 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -58.96 -55.63 32.63 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.843 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.3 m -50.74 -49.72 57.2 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.239 1.015 . . . . 0.0 109.635 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -57.93 -47.59 82.42 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 22' ' ' VAL . 54.8 t60 -58.22 -44.61 88.29 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.583 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -50.46 -23.14 2.25 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -49.3 -29.49 6.06 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.204 1.366 . . . . 0.0 110.376 177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.41 HG13 ' CG ' ' A' ' 23' ' ' HIS . 4.3 p -57.43 -38.26 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 C-N-CA 128.249 2.619 . . . . 0.0 113.958 177.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.41 ' CG ' HG13 ' A' ' 22' ' ' VAL . 52.7 m-70 -109.6 -44.74 3.8 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.792 1.237 . . . . 0.0 110.134 -177.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.292 0.0 OUTLIER 44.41 57.57 4.3 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 129.917 3.287 . . . . 0.0 112.917 -177.04 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -146.35 165.51 29.09 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.588 1.555 . . . . 0.0 106.889 179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 118.557 0.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -84.24 152.79 23.98 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -132.62 136.85 46.78 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 t -77.1 110.21 11.57 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.02 -36.3 2.62 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 123.699 0.666 . . . . 0.0 114.203 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -79.84 -19.95 47.17 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.1 p -151.52 10.56 0.57 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.845 1.657 . . . . 0.0 115.0 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 45.98 19.05 0.06 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 128.309 2.643 . . . . 0.0 116.602 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -66.65 143.38 57.03 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 173.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -89.34 142.65 27.47 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 123.339 0.656 . . . . 0.0 111.083 -177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CD1' HD22 ' A' ' 16' ' ' LEU . 94.1 m-85 -134.31 137.51 44.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.454 1.502 . . . . 0.0 109.878 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -48.78 63.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.314 1.046 . . . . 0.0 112.355 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.57 171.58 16.4 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.845 0.831 . . . . 0.0 112.954 -178.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -47.77 -41.42 23.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 126.318 1.847 . . . . 0.0 113.546 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -47.98 82.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.771 0.714 . . . . 0.0 110.103 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.85 99.64 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -58.84 -50.44 73.97 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.681 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.9 m -55.9 -52.62 63.46 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttm-85 -54.45 -41.56 69.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.352 0.661 . . . . 0.0 110.334 178.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -58.76 -27.5 65.02 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.675 -0.679 . . . . 0.0 111.561 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -63.08 0.69 0.55 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.942 1.246 . . . . 0.0 113.01 176.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -32.93 64.3 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 169.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.45 146.01 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 73.2 -58.64 0.59 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.531 1.932 . . . . 0.0 110.662 -176.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.5 tttm 61.32 53.24 3.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 126.013 1.725 . . . . 0.0 110.858 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -119.69 -45.82 2.49 Favored 'General case' 0 C--O 1.225 -0.222 0 C-N-CA 124.237 1.015 . . . . 0.0 110.713 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 O-C-N 121.524 -0.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -74.44 101.97 4.3 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -79.89 128.86 33.96 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.2 t -56.71 -28.6 61.25 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.77 -54.3 4.4 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 109.903 -1.279 . . . . 0.0 109.903 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.9 mt -69.96 -28.34 65.48 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.088 0.555 . . . . 0.0 110.638 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.3 p -152.44 30.54 0.53 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 118.367 0.531 . . . . 0.0 110.555 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.256 23.1 mt-10 21.76 19.57 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.276 2 C-N-CA 132.415 4.286 . . . . 0.0 121.848 -179.92 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -59.2 134.12 56.71 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -98.29 111.26 23.66 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.586 1.155 . . . . 0.0 109.86 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.449 ' CD1' HD22 ' A' ' 16' ' ' LEU . 61.5 m-85 -102.39 139.11 38.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.562 1.145 . . . . 0.0 109.688 -178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.5 m -68.29 -42.13 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -115.54 147.83 40.23 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.616 0.766 . . . . 0.0 112.181 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -60.63 -31.48 70.67 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.881 0.872 . . . . 0.0 110.662 178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -49.34 77.94 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 177.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.52 92.31 Favored 'General case' 0 N--CA 1.458 -0.051 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.449 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -54.32 -52.12 62.52 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 177.309 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 m -56.76 -47.65 79.61 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.646 0.379 . . . . 0.0 110.683 178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.37 -25.09 65.6 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 122.583 0.353 . . . . 0.0 110.593 177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.426 ' O ' HG12 ' A' ' 22' ' ' VAL . 53.4 t60 -81.34 -52.19 7.56 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.875 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -45.74 -33.22 2.89 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 -174.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? -44.55 -29.99 0.82 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.108 0.867 . . . . 0.0 111.175 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.431 HG13 ' CG ' ' A' ' 23' ' ' HIS . 9.2 p -53.19 -42.7 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 127.548 2.339 . . . . 0.0 113.319 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' CG ' HG13 ' A' ' 22' ' ' VAL . 12.0 m-70 -110.52 -29.94 7.85 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.584 1.154 . . . . 0.0 111.895 -178.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.61 65.68 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 126.953 2.101 . . . . 0.0 112.293 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 56.97 46.44 19.47 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.534 1.534 . . . . 0.0 109.898 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.168 0 O-C-N 121.733 -0.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -70.24 119.6 14.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -102.83 137.46 41.01 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 177.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.6 t -68.07 108.41 3.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.98 -33.72 3.77 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-N 118.888 0.767 . . . . 0.0 113.727 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 mt -79.24 -21.84 45.64 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -178.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.7 p -154.67 18.79 0.46 Allowed 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.994 1.725 . . . . 0.0 114.475 -178.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 36.76 34.21 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 130.455 3.502 . . . . 0.0 118.483 178.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -81.46 140.31 34.69 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.049 -2.574 . . . . 0.0 104.049 173.031 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -84.71 136.4 33.74 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 124.047 0.939 . . . . 0.0 110.872 -179.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 19' ' ' HIS . 92.2 m-85 -121.71 -34.48 3.39 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER 72.58 -36.44 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.591 0 C-N-CA 128.128 2.571 . . . . 0.0 112.704 179.266 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -102.53 122.56 44.6 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 126.966 2.106 . . . . 0.0 109.625 -179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -56.57 -39.21 73.09 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.695 0.398 . . . . 0.0 110.926 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -41.92 81.89 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.491 1.116 . . . . 0.0 110.535 178.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.54 -42.09 62.14 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.95 -48.42 75.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.772 0.829 . . . . 0.0 108.801 178.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.8 m -56.69 -55.78 29.81 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.368 1.067 . . . . 0.0 108.971 178.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 70.7 mtt85 -52.52 -44.74 65.94 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 178.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 10' ' ' PHE . 78.7 t60 -60.6 -29.13 69.01 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.667 -178.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -59.71 -19.86 52.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 121.113 1.778 . . . . 0.0 112.443 177.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -52.5 -27.84 18.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.607 1.549 . . . . 0.0 110.708 177.235 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.6 -28.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 C-N-CA 126.929 2.091 . . . . 0.0 112.088 179.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -123.25 -55.3 1.77 Allowed 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.406 1.083 . . . . 0.0 111.434 -176.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 39.55 34.74 0.16 Allowed 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 130.766 3.626 . . . . 0.0 114.597 -178.118 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -98.57 -45.46 6.08 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.605 1.562 . . . . 0.0 109.638 179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 121.784 -0.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -143.55 126.41 16.22 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -135.83 145.59 46.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 179.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.6 t -86.66 106.95 17.96 Favored 'General case' 0 C--O 1.226 -0.16 0 CA-C-N 118.815 0.734 . . . . 0.0 110.514 -178.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.57 7.47 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 118.096 0.407 . . . . 0.0 113.669 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -78.77 -20.3 50.21 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.109 -0.948 . . . . 0.0 113.448 -178.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 16.4 p -152.99 20.86 0.58 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 120.442 1.474 . . . . 0.0 114.445 -178.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . 0.292 10.7 pt-20 44.61 2.27 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 130.363 3.465 . . . . 0.0 119.6 177.478 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -56.4 144.5 30.62 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 174.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 m -96.46 134.79 39.19 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.932 1.293 . . . . 0.0 108.751 179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' HD22 ' A' ' 16' ' ' LEU . 85.3 m-85 -126.31 -24.94 3.58 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 123.921 0.889 . . . . 0.0 113.146 -176.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.348 1.6 p 46.76 25.75 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 N-CA-C 117.022 2.231 . . . . 0.0 117.022 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -157.94 136.48 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 126.311 1.845 . . . . 0.0 108.121 175.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -66.85 -21.82 66.01 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p -66.76 -64.06 0.93 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.77 -42.7 62.58 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.613 177.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.09 -54.08 49.07 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 118.588 0.631 . . . . 0.0 110.614 177.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -53.92 -46.2 71.41 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.794 -0.566 . . . . 0.0 109.914 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -57.8 -48.8 78.68 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.82 -0.808 . . . . 0.0 108.82 177.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -58.39 -36.23 73.21 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -59.06 -11.66 3.84 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 121.378 1.899 . . . . 0.0 114.145 176.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -54.63 -29.48 52.22 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 120.87 1.668 . . . . 0.0 108.755 172.209 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.75 -36.43 75.91 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 C-N-CA 127.144 2.178 . . . . 0.0 111.083 178.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.69 66.79 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -176.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -77.05 60.1 1.79 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.074 0.95 . . . . 0.0 109.96 177.575 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -75.96 68.18 2.42 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.234 0.614 . . . . 0.0 110.351 -179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 O-C-N 121.964 -0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -76.83 150.58 36.09 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -132.26 138.18 47.79 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.04 113.65 22.29 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.21 -10.43 2.68 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 -179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.3 mt -113.01 9.13 18.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.297 1.439 . . . . 0.0 112.208 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -148.98 -36.11 0.18 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.497 1.044 . . . . 0.0 112.522 178.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 72.44 16.07 5.02 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 127.965 2.506 . . . . 0.0 112.431 -177.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.1 143.04 52.53 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 174.13 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -89.88 131.65 35.69 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.389 0.676 . . . . 0.0 109.178 179.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 16' ' ' LEU . 96.5 m-85 -126.43 123.89 38.9 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.301 1.44 . . . . 0.0 109.245 -178.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.5 -39.3 85.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -179.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -115.8 148.68 39.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -63.87 -33.65 76.16 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 175.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -46.16 88.59 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.926 0.89 . . . . 0.0 109.247 176.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -57.45 -51.82 67.9 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.296 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -52.9 -48.75 66.96 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.421 0.689 . . . . 0.0 109.524 179.333 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.4 tpt85 -61.84 -39.05 90.5 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.931 0.493 . . . . 0.0 110.292 177.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -63.14 -29.31 70.69 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 118.72 -0.657 . . . . 0.0 111.509 -179.803 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -61.7 7.24 0.05 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 177.217 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -37.7 81.36 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 170.203 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.412 HG23 ' CE1' ' A' ' 23' ' ' HIS . 0.8 OUTLIER -82.91 150.37 4.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 174.777 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.412 ' CE1' HG23 ' A' ' 22' ' ' VAL . 2.4 m-70 72.24 -59.41 0.56 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.129 1.771 . . . . 0.0 110.261 -176.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.3 tttm 58.36 58.73 3.29 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 110.673 -179.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -72.02 68.99 0.71 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.204 1.002 . . . . 0.0 110.374 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 O-C-N 121.629 -0.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -119.21 148.22 43.36 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 125.167 1.387 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -134.13 148.3 50.95 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 178.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -27.4 44.16 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.428 0.691 . . . . 0.0 112.769 -177.264 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.64 -50.75 3.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 121.099 -1.001 . . . . 0.0 112.114 178.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.65 -24.25 65.43 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.721 0.761 . . . . 0.0 109.337 178.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.1 p -154.86 110.77 3.17 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 101.04 -3.689 . . . . 0.0 101.04 176.359 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.82 55.69 0.39 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -172.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -82.59 144.52 30.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 104.279 -2.489 . . . . 0.0 104.279 173.273 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.2 m -101.55 135.72 42.6 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 123.507 0.723 . . . . 0.0 109.809 -179.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.734 ' CD2' HD23 ' A' ' 16' ' ' LEU . 73.6 m-85 -129.37 139.06 51.83 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.597 1.559 . . . . 0.0 108.261 -178.343 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.5 m -74.04 -43.44 51.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-O 119.395 -0.336 . . . . 0.0 111.851 -178.129 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.91 154.4 37.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.837 0.855 . . . . 0.0 111.63 178.365 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -58.36 -31.8 67.95 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.121 1.368 . . . . 0.0 113.685 -179.178 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -58.31 -57.78 11.37 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.794 0.725 . . . . 0.0 111.743 -176.419 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.31 -46.07 80.0 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.678 0.791 . . . . 0.0 109.926 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.734 HD23 ' CD2' ' A' ' 10' ' ' PHE . 1.6 tm? -61.3 -50.22 73.85 Favored 'General case' 0 N--CA 1.437 -1.076 0 O-C-N 122.271 -0.268 . . . . 0.0 111.679 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.2 t -60.34 -43.6 96.28 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 108.868 179.509 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -57.52 -41.13 80.23 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 176.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -62.39 -48.72 78.5 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -56.02 -12.2 1.36 Allowed 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -54.26 -28.16 39.81 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.623 1.556 . . . . 0.0 108.125 172.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.419 HG13 ' CD2' ' A' ' 23' ' ' HIS . 1.4 p -64.83 -31.91 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 127.825 2.45 . . . . 0.0 113.284 176.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.419 ' CD2' HG13 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -168.48 75.41 0.11 Allowed 'General case' 0 C--N 1.341 0.238 0 C-N-CA 125.061 1.344 . . . . 0.0 110.981 -178.526 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.25 64.48 2.05 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.575 -0.703 . . . . 0.0 110.27 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 64.76 -62.82 0.18 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.817 2.047 . . . . 0.0 113.423 179.578 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 O-C-N 121.662 -0.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -72.67 123.96 24.33 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -112.36 134.29 53.97 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.932 1.293 . . . . 0.0 108.543 -178.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.1 p -78.45 -8.13 58.18 Favored 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -178.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.08 -48.43 1.72 Allowed Glycine 0 CA--C 1.533 1.165 0 CA-C-N 119.164 0.893 . . . . 0.0 113.775 178.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.88 -35.92 81.97 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.058 0.943 . . . . 0.0 110.722 -177.675 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.7 p -145.26 20.65 1.56 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.234 1.014 . . . . 0.0 110.327 175.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 16.26 46.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 130.643 3.577 . . . . 0.0 118.325 -178.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -70.33 128.82 37.54 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 104.04 -2.578 . . . . 0.0 104.04 175.118 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.9 m -89.12 120.22 30.32 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.358 0.663 . . . . 0.0 111.849 -175.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 16' ' ' LEU . 72.7 m-85 -113.63 136.96 52.25 Favored 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 124.333 1.053 . . . . 0.0 110.291 179.023 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.38 -39.37 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 C-N-CA 123.822 0.849 . . . . 0.0 110.95 178.102 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -113.5 149.03 34.92 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.358 177.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -70.75 -19.92 62.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.601 176.392 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -63.44 -57.08 11.43 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.33 -47.97 62.55 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.293 1.037 . . . . 0.0 109.293 177.23 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -59.33 -47.11 86.63 Favored 'General case' 0 N--CA 1.439 -0.984 0 O-C-N 121.545 -0.722 . . . . 0.0 111.584 177.16 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -53.7 -46.87 70.89 Favored 'General case' 0 CA--C 1.527 0.064 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 179.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -62.58 -31.91 72.81 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.065 176.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -73.07 -28.08 62.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 119.582 1.083 . . . . 0.0 110.464 -178.08 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -53.65 -22.01 7.98 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 118.164 -0.922 . . . . 0.0 112.612 178.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -48.43 -30.19 4.81 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.144 0.884 . . . . 0.0 112.418 177.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -25.28 22.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 119.431 1.014 . . . . 0.0 112.534 179.076 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -112.94 -59.1 2.06 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.269 1.028 . . . . 0.0 112.293 -176.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 56.23 21.51 5.37 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 129.298 3.039 . . . . 0.0 112.744 -174.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -77.43 69.04 3.64 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.594 -0.691 . . . . 0.0 109.862 -179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 O-C-N 122.151 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -75.37 144.2 42.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -116.83 133.65 55.75 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -18.74 64.84 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.58 -52.93 3.92 Favored Glycine 0 CA--C 1.528 0.847 0 O-C-N 121.036 -1.04 . . . . 0.0 112.062 178.118 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.32 -29.35 69.54 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.9 p -157.06 108.53 2.38 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 175.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.93 53.53 0.35 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 -173.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -77.32 135.21 38.37 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.434 -2.061 . . . . 0.0 105.434 174.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -79.19 113.62 17.46 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.296 1.039 . . . . 0.0 112.163 -177.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.32 108.26 16.99 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 125.349 1.46 . . . . 0.0 108.241 178.109 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.09 -46.58 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.027 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -92.19 136.79 32.9 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.839 1.256 . . . . 0.0 111.395 -177.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -61.0 -39.15 88.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.691 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.52 -40.75 83.78 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.503 0.721 . . . . 0.0 109.819 176.721 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 -43.47 86.6 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -57.51 -54.05 51.21 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.771 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.88 -50.85 60.18 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.389 0.676 . . . . 0.0 109.842 179.25 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -57.45 -42.51 82.65 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.957 0.503 . . . . 0.0 110.241 178.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -60.01 -31.96 70.43 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 121.869 -0.52 . . . . 0.0 110.585 -179.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -59.33 -6.92 1.1 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.313 0.961 . . . . 0.0 113.258 176.48 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -52.14 -35.7 49.23 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.516 1.053 . . . . 0.0 109.029 172.404 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -77.25 -20.22 14.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 CA-C-N 118.216 0.462 . . . . 0.0 112.083 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.37 110.26 0.38 Allowed 'General case' 0 C--N 1.339 0.146 0 C-N-CA 125.303 1.441 . . . . 0.0 109.588 -179.706 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 -134.4 0.35 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.175 0.99 . . . . 0.0 108.495 -179.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -169.59 177.18 4.67 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 127.097 2.159 . . . . 0.0 106.599 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 117.987 0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.203 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -129.71 139.55 51.31 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 127.918 2.487 . . . . 0.0 106.841 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -133.12 143.72 49.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 178.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.6 t -73.22 109.08 6.48 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.258 0.481 . . . . 0.0 110.738 -178.677 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.54 -30.68 13.44 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-N 118.416 0.553 . . . . 0.0 113.263 178.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.68 -17.19 42.25 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 117.706 -1.14 . . . . 0.0 113.936 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.0 p -155.09 17.14 0.42 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 121.186 1.812 . . . . 0.0 115.094 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 44.8 12.46 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 130.0 3.32 . . . . 0.0 118.187 177.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.91 144.01 57.13 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.974 -1.862 . . . . 0.0 105.974 174.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 p -87.81 122.44 31.45 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 125.941 1.697 . . . . 0.0 110.622 -178.154 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CD1' HD22 ' A' ' 16' ' ' LEU . 93.9 m-85 -111.84 -28.67 7.97 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 123.943 0.897 . . . . 0.0 111.873 179.874 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 71.55 -28.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 C-N-CA 126.682 1.993 . . . . 0.0 114.287 177.274 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -129.57 144.54 51.31 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.066 1.347 . . . . 0.0 111.571 179.249 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -55.6 -39.4 70.71 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.138 1.375 . . . . 0.0 110.956 179.439 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -59.46 5.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.344 0.657 . . . . 0.0 110.382 -178.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.58 80.58 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.428 HD22 ' CD1' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -57.23 -57.88 10.68 Favored 'General case' 0 N--CA 1.438 -1.028 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.835 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 m -57.88 -43.54 86.09 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 121.877 -0.514 . . . . 0.0 110.526 -178.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -58.7 -39.19 80.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.165 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -66.26 -44.2 84.31 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 117.836 -1.078 . . . . 0.0 108.546 177.596 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.01 7.71 0.26 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.11 -31.05 72.1 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 103.911 -2.625 . . . . 0.0 103.911 166.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.92 147.92 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 128.17 2.588 . . . . 0.0 107.4 173.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 73.84 -63.66 0.42 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.334 1.854 . . . . 0.0 106.809 -175.242 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.6 tptm 115.86 94.11 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.003 1 C-N-CA 133.323 4.649 . . . . 0.0 110.565 176.076 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 t30 70.51 -57.45 0.58 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.099 1.76 . . . . 0.0 112.516 178.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.217 0 O-C-N 121.845 -0.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -105.14 138.27 41.6 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.013 1.325 . . . . 0.0 108.844 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.41 142.85 34.45 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.145 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -15.23 57.1 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -177.849 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.28 -55.27 4.6 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 120.946 -1.096 . . . . 0.0 111.396 178.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 mt -69.09 -27.29 65.47 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.107 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 6.6 p -157.7 97.28 1.57 Allowed 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 177.027 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -71.97 61.47 0.42 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -174.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -84.72 133.47 34.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 104.751 -2.315 . . . . 0.0 104.751 175.048 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.7 m -74.8 90.13 2.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.475 0.71 . . . . 0.0 112.426 -176.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -78.75 124.16 27.91 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -49.26 -36.79 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 124.442 1.097 . . . . 0.0 113.906 -177.772 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -145.8 158.94 43.82 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.267 0.556 . . . . 0.0 111.755 -179.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.24 -33.4 63.09 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.978 0.911 . . . . 0.0 111.589 179.575 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.23 -48.23 82.45 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.494 0.717 . . . . 0.0 109.456 177.587 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.46 95.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 16' ' ' LEU . 1.3 tm? -58.0 -59.44 5.26 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 123.419 0.688 . . . . 0.0 109.732 178.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 p -58.62 -42.73 88.88 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.679 -0.638 . . . . 0.0 109.954 -178.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -56.7 -42.61 79.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -62.77 -43.18 99.48 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 177.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.51 4.49 0.24 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 178.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -60.79 -29.89 69.72 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 167.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.57 147.0 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 128.992 2.917 . . . . 0.0 107.72 174.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 73.15 -61.02 0.52 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.888 1.675 . . . . 0.0 108.502 -176.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? 57.99 38.12 26.77 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 128.109 2.564 . . . . 0.0 110.868 179.742 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -92.97 -54.18 3.84 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 123.795 0.838 . . . . 0.0 109.862 179.033 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.145 0 O-C-N 121.997 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.021 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -78.96 149.69 32.24 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -132.34 149.06 52.43 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.079 0.552 . . . . 0.0 109.764 -178.472 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 t -82.16 -30.99 30.71 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 124.013 0.925 . . . . 0.0 112.114 -179.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.5 -49.56 3.64 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 121.473 -0.767 . . . . 0.0 111.42 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.5 mt -70.48 -14.82 62.68 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 117.8 0.8 . . . . 0.0 110.72 179.056 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.8 p -161.35 125.71 3.43 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 175.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 58.78 0.67 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -91.7 144.21 25.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -96.13 126.37 41.31 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.733 1.213 . . . . 0.0 108.993 179.072 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -116.22 127.32 54.66 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.824 1.25 . . . . 0.0 108.937 -179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.0 m -66.31 -32.29 57.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 122.879 0.471 . . . . 0.0 111.847 -178.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -141.09 147.8 39.12 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.731 0.813 . . . . 0.0 110.035 -179.473 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -56.25 -33.52 65.51 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.85 0.86 . . . . 0.0 111.068 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -44.78 84.65 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.803 1.241 . . . . 0.0 110.5 178.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -46.35 90.42 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.67 -40.89 96.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 O-C-N 122.247 -0.283 . . . . 0.0 110.319 178.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 m -52.72 -42.46 64.88 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.849 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -73.86 -22.21 59.83 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 175.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -71.96 -30.35 65.2 Favored 'General case' 0 C--N 1.343 0.286 0 O-C-N 120.676 -1.265 . . . . 0.0 110.284 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.34 6.8 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 178.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -57.88 -37.98 74.93 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 168.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.425 HG23 ' CE1' ' A' ' 23' ' ' HIS . 1.5 m -89.32 147.4 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 175.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CE1' HG23 ' A' ' 22' ' ' VAL . 2.9 m-70 72.77 -61.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.181 1.793 . . . . 0.0 109.989 -177.021 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp 51.29 50.84 18.14 Favored 'General case' 0 N--CA 1.445 -0.689 0 C-N-CA 126.959 2.104 . . . . 0.0 111.063 -179.14 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.4 t30 68.71 -57.55 0.5 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 126.436 1.894 . . . . 0.0 112.486 -179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 O-C-N 121.696 -0.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -68.07 134.82 51.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.73 133.89 36.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.2 t -50.4 -52.44 37.5 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.26 1.424 . . . . 0.0 114.822 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.24 -51.26 0.74 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -178.176 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.97 -17.94 60.94 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.118 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.8 p -156.19 -157.16 0.69 Allowed 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 101.819 -3.4 . . . . 0.0 101.819 174.179 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -114.27 -110.02 0.36 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 123.367 0.667 . . . . 0.0 110.697 -177.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 62.11 110.85 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.875 2.07 . . . . 0.0 110.154 -178.855 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.8 m -75.03 87.41 2.36 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.127 -0.983 . . . . 0.0 111.481 -178.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' CD2' HD22 ' A' ' 16' ' ' LEU . 86.9 m-85 -76.77 112.32 13.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.193 0.597 . . . . 0.0 110.127 179.622 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.7 m -47.03 -42.6 6.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 125.096 1.358 . . . . 0.0 113.53 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -123.94 156.4 36.41 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 122.282 1.039 . . . . 0.0 112.364 -178.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 pttt -63.35 -26.47 68.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.549 176.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.5 p -65.08 -53.23 48.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.22 -43.68 83.05 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.847 0.859 . . . . 0.0 110.149 177.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.406 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -58.71 -53.54 57.23 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.09 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 m -56.06 -46.4 78.95 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.802 -0.561 . . . . 0.0 110.013 179.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -57.89 -42.24 84.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 177.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 22' ' ' VAL . 59.6 t60 -60.04 -34.73 73.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.759 -0.588 . . . . 0.0 110.129 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -62.42 2.12 0.29 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 120.003 1.274 . . . . 0.0 114.032 175.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -60.48 -29.26 68.94 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 169.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 19' ' ' HIS . 1.1 m -95.36 149.58 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 174.803 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.08 -63.9 0.26 Allowed 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 128.014 2.526 . . . . 0.0 112.202 -178.111 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -68.45 -17.37 64.18 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -175.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -145.54 174.58 11.04 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 128.085 2.554 . . . . 0.0 106.399 179.411 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 121.903 -0.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.064 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -94.33 155.23 17.1 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.58 147.45 33.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 122.587 0.355 . . . . 0.0 110.832 -178.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.1 t -81.86 110.07 16.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.022 0.929 . . . . 0.0 111.596 -179.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.09 -23.4 11.86 Favored Glycine 0 CA--C 1.537 1.407 0 CA-C-N 118.265 0.484 . . . . 0.0 114.056 178.884 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 71.7 mt -92.31 -16.98 25.35 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.289 1.035 . . . . 0.0 113.606 -179.567 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.5 p -158.46 17.69 0.21 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 120.643 1.565 . . . . 0.0 115.208 -177.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 35.48 36.58 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 129.302 3.041 . . . . 0.0 117.036 177.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -75.16 141.74 43.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 173.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.4 m -86.19 132.2 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 124.337 1.055 . . . . 0.0 111.261 -178.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.624 ' CE2' HD23 ' A' ' 16' ' ' LEU . 92.7 m-85 -127.77 125.19 39.42 Favored 'General case' 0 C--O 1.23 0.078 0 C-N-CA 124.457 1.103 . . . . 0.0 109.634 178.758 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.89 -37.35 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 124.771 1.228 . . . . 0.0 112.845 -179.578 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -144.51 158.65 43.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.09 0.556 . . . . 0.0 110.58 179.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -53.46 22.56 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -176.772 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 m -50.38 -47.21 56.32 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 119.248 0.931 . . . . 0.0 112.822 -175.5 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.94 -46.03 78.62 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.145 0.578 . . . . 0.0 110.009 178.36 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD23 ' CE2' ' A' ' 10' ' ' PHE . 1.1 tm? -65.21 -48.67 72.57 Favored 'General case' 0 N--CA 1.438 -1.035 0 O-C-N 121.898 -0.501 . . . . 0.0 110.864 179.77 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -54.4 -46.95 73.23 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.491 -0.756 . . . . 0.0 109.362 177.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -58.79 -40.62 84.55 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.163 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 22' ' ' VAL . 49.6 t60 -59.8 -34.68 73.36 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.626 -179.83 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -62.64 0.82 0.45 Allowed 'General case' 0 C--N 1.342 0.277 0 CA-C-N 120.2 1.363 . . . . 0.0 114.644 176.645 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -66.23 -30.76 71.27 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 170.089 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 19' ' ' HIS . 1.7 m -81.39 153.51 4.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 172.727 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 74.79 -65.42 0.34 Allowed 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.738 1.615 . . . . 0.0 108.539 -175.408 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 pttp 35.9 47.91 0.46 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 128.172 2.589 . . . . 0.0 112.409 -177.514 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -164.58 -179.63 6.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 -178.803 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 118.756 0.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.05 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -81.61 134.6 35.51 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 126.033 1.733 . . . . 0.0 108.08 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -107.38 142.21 37.55 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 124.317 1.047 . . . . 0.0 109.578 -178.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.11 -19.16 34.71 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.748 0.819 . . . . 0.0 112.645 -179.483 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.34 -53.93 4.5 Favored Glycine 0 CA--C 1.528 0.861 0 O-C-N 121.132 -0.98 . . . . 0.0 111.177 179.177 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.1 mt -70.7 -16.99 62.84 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.749 0.774 . . . . 0.0 110.309 178.498 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -164.3 121.36 1.66 Allowed 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 104.088 -2.56 . . . . 0.0 104.088 176.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -77.21 58.93 1.68 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.493 -0.754 . . . . 0.0 112.588 -177.494 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.0 mtt85 -89.5 136.29 33.12 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 174.27 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m -83.38 120.31 25.71 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.617 0.767 . . . . 0.0 111.387 -178.19 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 16' ' ' LEU . 92.9 m-85 -111.9 142.52 44.19 Favored 'General case' 0 C--O 1.228 -0.062 0 C-N-CA 124.431 1.093 . . . . 0.0 109.74 178.67 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.39 -34.57 69.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -178.646 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -153.95 167.67 28.95 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.483 0.659 . . . . 0.0 112.514 -178.761 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -52.9 -40.41 63.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 125.351 1.46 . . . . 0.0 110.48 178.556 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m -56.82 -54.77 42.54 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.707 -0.621 . . . . 0.0 110.052 178.049 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.36 -43.28 88.3 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -56.31 -52.27 65.15 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.659 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -58.27 -45.18 88.35 Favored 'General case' 0 N--CA 1.452 -0.353 0 O-C-N 121.851 -0.531 . . . . 0.0 110.3 -179.464 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 55.9 mmm-85 -58.3 -44.24 88.45 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.8 t60 -62.24 -36.41 81.94 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.366 177.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -63.13 0.88 0.53 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 121.725 2.057 . . . . 0.0 114.654 174.82 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -59.85 -32.96 71.18 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 168.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.6 t -77.74 142.86 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 C-N-CA 128.482 2.713 . . . . 0.0 106.339 175.447 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.77 -70.74 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 127.229 2.212 . . . . 0.0 113.572 178.099 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -80.17 48.03 0.96 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.058 0.943 . . . . 0.0 111.708 -174.329 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 t30 169.65 -63.77 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 127.341 2.256 . . . . 0.0 107.064 -178.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.099 0 O-C-N 121.919 -0.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.034 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -97.13 116.91 30.19 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 126.632 1.973 . . . . 0.0 108.641 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -101.29 130.37 47.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.668 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -12.58 61.6 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.56 -55.39 4.42 Favored Glycine 0 CA--C 1.526 0.781 0 O-C-N 120.91 -1.119 . . . . 0.0 111.706 178.112 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.24 -28.81 67.55 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.8 p -154.23 108.12 2.97 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 103.312 -2.848 . . . . 0.0 103.312 175.673 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -76.37 56.41 1.07 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -174.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -77.15 123.9 27.06 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 103.633 -2.729 . . . . 0.0 103.633 173.837 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -76.25 90.27 3.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.106 0.562 . . . . 0.0 112.332 -176.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -78.42 132.71 37.43 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 177.736 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.5 t -60.84 -40.59 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 C-N-CA 124.458 1.103 . . . . 0.0 112.085 -178.204 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -126.74 157.45 39.09 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.41 0.684 . . . . 0.0 112.448 -177.682 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -24.07 67.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.106 176.578 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 p -64.75 -57.12 9.81 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 178.858 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.35 -43.95 71.73 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.701 177.361 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.4 -54.17 50.06 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 123.063 0.545 . . . . 0.0 109.734 178.289 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.5 m -56.5 -45.0 81.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.754 -0.591 . . . . 0.0 109.995 -179.573 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -57.84 -45.95 85.48 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.065 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -59.62 -35.14 73.77 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.521 178.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -64.12 1.76 0.66 Allowed 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 121.867 2.121 . . . . 0.0 114.909 174.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.5 mtp85 -60.89 -30.58 70.25 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 168.02 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.25 17.2 t -79.55 144.54 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 C-N-CA 127.857 2.463 . . . . 0.0 106.606 176.141 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.71 -46.65 0.39 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 117.537 2.421 . . . . 0.0 117.537 176.002 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -68.8 63.13 0.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.032 1.333 . . . . 0.0 113.843 -171.399 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.32 69.0 0.78 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.322 1.449 . . . . 0.0 109.812 178.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 O-C-N 121.615 -0.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -83.27 171.75 13.27 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.253 1.821 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -140.04 154.22 47.03 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.835 1.654 . . . . 0.0 106.969 177.775 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.5 t -82.59 -33.07 28.13 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.028 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.01 -49.35 3.99 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 179.385 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.8 mt -75.02 1.45 12.96 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 117.494 0.647 . . . . 0.0 110.365 176.575 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.1 p -179.35 153.37 0.58 Allowed 'General case' 0 N--CA 1.44 -0.972 1 C-N-CA 131.969 4.108 . . . . 0.0 101.71 177.228 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -102.72 40.4 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -178.573 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -72.68 141.82 48.25 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 172.825 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 t -95.85 142.23 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.014 0.526 . . . . 0.0 110.03 -178.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.747 ' CD1' HD12 ' A' ' 16' ' ' LEU . 53.6 m-85 -142.61 132.0 23.58 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 122.981 0.512 . . . . 0.0 111.921 -177.828 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.6 m -84.42 -42.63 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.394 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.47 114.7 25.36 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 125.057 1.343 . . . . 0.0 110.608 -179.017 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -37.99 73.16 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.353 0.261 . . . . 0.0 110.482 178.186 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.2 -48.82 79.14 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.955 0.902 . . . . 0.0 110.404 178.902 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.74 -46.14 84.86 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -61.68 -44.42 96.97 Favored 'General case' 0 N--CA 1.437 -1.116 0 O-C-N 121.947 -0.471 . . . . 0.0 111.604 178.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.1 m -53.92 -47.38 71.27 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.587 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -65.32 -32.0 73.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.477 176.679 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -67.85 -28.25 67.38 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 119.179 0.9 . . . . 0.0 110.162 -176.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -51.82 -25.35 7.57 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.132 178.015 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -43.15 -34.63 1.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.206 1.002 . . . . 0.0 112.836 178.097 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.4 m -66.85 -30.49 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 CA-C-N 119.203 0.911 . . . . 0.0 112.493 -179.542 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -105.92 -57.12 2.09 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 124.681 1.193 . . . . 0.0 110.758 -177.268 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 tptt 42.87 46.39 4.57 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 129.757 3.223 . . . . 0.0 112.294 -177.426 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -64.1 138.05 58.27 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.212 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 122.005 -0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -69.47 138.26 53.28 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.865 2.066 . . . . 0.0 108.601 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 146.58 35.2 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.653 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.4 t -89.2 -51.12 5.75 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.871 0.868 . . . . 0.0 111.4 -178.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.34 -50.07 0.81 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.45 -20.23 60.76 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 176.851 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 15.3 p -161.58 -157.6 0.5 Allowed 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 102.621 -3.103 . . . . 0.0 102.621 175.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -165.78 111.61 0.88 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.967 1.307 . . . . 0.0 108.612 -178.763 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 47.4 mtp180 -136.58 146.81 46.54 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.678 1.991 . . . . 0.0 105.862 178.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -71.94 64.23 0.5 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -173.801 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HD2' HD12 ' A' ' 16' ' ' LEU . 42.7 m-85 -78.77 83.36 4.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.284 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.4 p -41.06 -36.92 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 126.647 1.979 . . . . 0.0 114.457 -177.271 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -118.62 138.04 52.86 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.028 0.931 . . . . 0.0 110.571 179.558 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -48.61 -39.57 24.46 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.284 1.034 . . . . 0.0 112.221 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -55.15 -44.8 75.47 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.178 0.991 . . . . 0.0 110.703 179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.73 -34.63 78.78 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -179.585 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.495 HD12 ' HD2' ' A' ' 10' ' ' PHE . 1.6 tt -74.52 -40.83 61.52 Favored 'General case' 0 N--CA 1.433 -1.312 0 O-C-N 121.461 -0.774 . . . . 0.0 110.453 -179.642 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.7 m -51.82 -45.33 63.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 105.887 -1.894 . . . . 0.0 105.887 175.658 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -65.87 -38.92 90.09 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.331 -0.842 . . . . 0.0 110.587 175.279 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CG ' ' CE2' ' A' ' 10' ' ' PHE . 32.7 t60 -59.34 -30.63 68.51 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 120.838 1.654 . . . . 0.0 112.092 -178.798 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -55.19 -11.81 0.81 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.247 0.93 . . . . 0.0 113.04 177.001 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -47.27 -39.23 13.95 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.591 1.087 . . . . 0.0 109.759 173.024 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -73.69 -23.91 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -179.088 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.47 89.55 0.84 Allowed 'General case' 0 N--CA 1.457 -0.086 0 C-N-CA 124.409 1.083 . . . . 0.0 110.776 -179.206 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -77.95 43.22 0.42 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 111.071 -179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -81.89 62.38 5.65 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 121.326 -0.859 . . . . 0.0 109.501 -177.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.13 125.32 26.58 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -89.69 139.32 30.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.149 0.58 . . . . 0.0 111.153 -178.662 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.24 -27.5 60.8 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.242 0.617 . . . . 0.0 112.113 178.483 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.26 -55.01 4.81 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -178.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.29 -34.22 72.51 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.506 0.653 . . . . 0.0 109.999 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.0 p -151.13 80.41 1.31 Allowed 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 105.445 -2.057 . . . . 0.0 105.445 178.125 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -48.75 63.17 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 130.114 3.366 . . . . 0.0 117.694 -174.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -95.62 142.93 27.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 104.972 -2.232 . . . . 0.0 104.972 173.529 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -88.17 112.56 22.87 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.268 1.427 . . . . 0.0 111.123 -177.874 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 86.4 m-85 -99.32 140.23 33.79 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.902 0.881 . . . . 0.0 112.366 -179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.2 55.44 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 C-N-CA 129.93 3.292 . . . . 0.0 109.414 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 113.58 150.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 131.455 3.902 . . . . 0.0 113.222 176.687 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.1 tptt -53.83 -32.02 51.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.19 173.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.55 -45.92 63.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 125.696 1.598 . . . . 0.0 111.093 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.02 -42.71 59.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' A' ' 10' ' ' PHE . 3.6 tp -59.97 -35.94 76.06 Favored 'General case' 0 N--CA 1.428 -1.567 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.514 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -50.86 -41.01 57.57 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.611 -0.68 . . . . 0.0 109.255 177.865 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -76.43 -30.58 57.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.714 0.805 . . . . 0.0 109.824 175.756 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.419 ' HB3' ' HA ' ' A' ' 16' ' ' LEU . 81.4 t60 -66.35 -39.63 89.31 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 119.903 1.229 . . . . 0.0 109.552 179.541 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.3 mm-40 -53.24 -25.43 14.2 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 120.136 1.335 . . . . 0.0 112.842 179.12 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.7 ttp-105 -47.25 -32.42 4.55 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.538 1.063 . . . . 0.0 111.058 176.662 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 60.1 t -57.79 -33.77 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 127.326 2.25 . . . . 0.0 111.905 179.279 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -114.86 -58.6 2.12 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.343 1.457 . . . . 0.0 109.328 -177.637 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.1 tttt 66.62 -55.26 0.42 Allowed 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 131.508 3.923 . . . . 0.0 115.098 179.437 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 64.46 -61.07 0.2 Allowed 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 128.894 2.878 . . . . 0.0 112.342 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 O-C-N 121.716 -0.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.001 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' HB3' HD13 ' A' ' 16' ' ' LEU . 2.7 m-30 -85.19 125.2 32.65 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.47 123.61 24.22 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.05 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -18.13 29.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.283 1.033 . . . . 0.0 109.111 178.711 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.99 -54.87 1.34 Allowed Glycine 0 C--N 1.336 0.575 0 N-CA-C 106.355 -2.698 . . . . 0.0 106.355 -179.088 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mp -76.1 -30.39 58.25 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.37 -144.02 0.14 Allowed 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 106.805 -1.554 . . . . 0.0 106.805 176.634 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -174.41 135.36 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 126.923 2.089 . . . . 0.0 107.26 -175.373 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 mpt_? -150.89 146.19 26.15 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 125.481 1.513 . . . . 0.0 109.709 176.615 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -75.69 56.52 0.92 Allowed 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.683 1.193 . . . . 0.0 113.592 -177.761 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' A' ' 16' ' ' LEU . 85.5 m-85 -75.65 -39.41 57.74 Favored 'General case' 0 N--CA 1.461 0.111 0 O-C-N 121.956 -0.465 . . . . 0.0 110.587 178.229 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . 0.257 0.3 OUTLIER 70.62 -30.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 C-N-CA 128.824 2.85 . . . . 0.0 112.651 -177.711 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.64 105.96 16.59 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.91 1.684 . . . . 0.0 108.569 176.518 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -44.23 -43.85 7.52 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.333 1.453 . . . . 0.0 112.297 177.554 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 m -62.66 -48.76 77.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 122.952 0.501 . . . . 0.0 110.544 -179.241 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 -49.32 78.33 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.775 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -57.65 -55.54 33.51 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.652 178.054 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.2 m -54.13 -40.97 67.87 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 120.296 1.407 . . . . 0.0 109.044 179.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.93 -29.6 70.91 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -62.89 -44.32 96.4 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 119.442 1.019 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -49.58 -19.25 0.55 Allowed 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -179.28 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -48.42 -37.97 18.48 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.852 1.206 . . . . 0.0 108.289 173.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG13 ' CD2' ' A' ' 23' ' ' HIS . 3.6 p -50.63 -34.42 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 128.064 2.546 . . . . 0.0 113.435 177.863 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.438 ' CD2' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -154.9 65.18 0.65 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.334 1.454 . . . . 0.0 108.552 179.526 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -74.88 65.75 1.44 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.543 1.137 . . . . 0.0 110.002 -179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 67.82 -61.52 0.37 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.722 2.009 . . . . 0.0 112.376 -179.792 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 121.719 -0.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_