data_2l70_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 2l70 _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 ' 5' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.23 -43.52 95.98 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.23 0.923 . . . . 0.0 109.776 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.1 -49.29 85.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -57.11 -49.58 75.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 118.641 0.655 . . . . 0.0 110.135 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.82 -51.72 67.86 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.858 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -57.28 -41.61 80.08 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.562 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mm -65.12 -43.78 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.56 74.28 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.451 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 mmt -61.49 -43.18 99.33 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.583 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -53.44 -48.96 68.34 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.265 0.939 . . . . 0.0 111.178 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -75.14 -45.41 41.08 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.259 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.89 -33.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.579 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -53.49 -52.82 58.35 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 120.765 1.62 . . . . 0.0 110.636 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -72.45 -44.97 61.62 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.789 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -65.31 -31.9 73.28 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.457 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.08 -41.88 98.63 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 118.984 0.811 . . . . 0.0 109.944 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -58.13 -40.73 82.01 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 0.0 108.943 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.1 -35.92 73.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.711 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.63 -34.92 69.82 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.407 1.458 . . . . 0.0 109.262 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -55.12 -42.9 73.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.036 1.289 . . . . 0.0 108.964 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.76 -51.41 69.44 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.705 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.26 1.9 pp -55.94 -36.23 67.52 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.035 1.289 . . . . 0.0 110.869 -172.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.621 0 CA-C-N 119.488 1.04 . . . . 0.0 111.592 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.3 m . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.498 1.044 . . . . 0.0 108.599 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.95 -43.06 98.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -53.5 57.37 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.924 1.238 . . . . 0.0 109.481 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.36 -47.88 65.87 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.793 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.23 -44.49 95.1 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.12 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -54.31 -42.61 70.31 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.115 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.63 -46.02 80.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.87 16.27 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.662 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 119.106 0.866 . . . . 0.0 110.828 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.34 -52.01 63.56 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 118.772 0.714 . . . . 0.0 110.247 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -67.25 -41.88 84.84 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.258 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.56 -41.69 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.619 -1.182 . . . . 0.0 108.934 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -50.27 -52.78 33.46 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.957 1.253 . . . . 0.0 112.665 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.39 -49.95 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.945 1.248 . . . . 0.0 108.919 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -55.11 -36.68 65.97 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.843 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.63 -48.46 59.89 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.47 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.46 -45.05 76.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.045 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.18 -36.92 76.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.328 -0.844 . . . . 0.0 108.771 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.5 -30.38 66.99 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.322 1.419 . . . . 0.0 110.507 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -62.72 -36.82 84.21 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 121.512 1.96 . . . . 0.0 109.336 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.33 -48.41 81.46 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.938 1.244 . . . . 0.0 109.459 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.61 -30.21 70.54 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.59 1.541 . . . . 0.0 109.685 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.867 0 CA-C-N 119.858 1.208 . . . . 0.0 109.239 174.328 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.5 m . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.73 -43.86 97.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.702 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.43 -48.78 85.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -54.81 -47.1 74.46 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 119.078 0.853 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -54.46 -50.98 66.44 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.441 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.97 -48.78 72.82 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.411 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.1 t -48.17 -41.24 26.41 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.251 0.478 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mm -66.19 -51.46 59.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.774 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.75 -60.07 3.71 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.257 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.69 67.89 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.012 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.4 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 31.2 t70 -67.36 -55.03 15.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.463 -1.256 . . . . 0.0 110.524 -176.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -57.46 -43.85 84.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.992 1.724 . . . . 0.0 109.305 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.88 -35.52 51.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 CA-C-O 117.008 -1.472 . . . . 0.0 111.835 -173.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 15' ' ' ASP 0.259 0.6 OUTLIER -53.96 -19.51 4.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 121.388 1.904 . . . . 0.0 115.62 -167.847 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.67 -52.36 5.18 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.11 1.777 . . . . 0.0 108.194 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -50.81 -37.71 44.22 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 118.536 0.607 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.82 -43.18 93.94 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.122 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.95 -40.94 86.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.407 1.458 . . . . 0.0 108.539 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.4 t -64.01 -30.39 49.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.259 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -52.84 -35.18 56.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.045 1.748 . . . . 0.0 108.25 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -66.6 -40.91 89.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.988 1.267 . . . . 0.0 111.095 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.33 -46.4 88.72 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.033 1.288 . . . . 0.0 107.772 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.86 -45.25 70.92 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.139 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.738 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.623 -176.212 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 CA--C 1.51 -0.587 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -48.9 -46.49 42.91 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.031 0.832 . . . . 0.0 110.437 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.28 -41.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -54.69 -48.66 72.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.718 1.144 . . . . 0.0 108.201 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -49.15 -46.33 45.05 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.257 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -67.0 -48.0 69.78 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.472 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -47.98 -38.02 15.95 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 118.624 0.647 . . . . 0.0 110.67 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mm -72.56 -49.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.97 -56.46 14.1 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.807 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ptm -55.67 -38.63 69.86 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.829 1.195 . . . . 0.0 111.436 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.88 -55.45 14.66 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.49 1.041 . . . . 0.0 109.304 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.36 -40.68 78.58 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.036 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.44 -39.51 82.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.149 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -43.88 -48.74 8.44 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.782 1.628 . . . . 0.0 110.761 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.34 -49.23 44.54 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.451 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -56.29 -39.22 72.33 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.861 0.755 . . . . 0.0 111.19 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -62.08 -42.35 99.12 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.171 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.35 -39.22 89.8 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.034 1.288 . . . . 0.0 109.346 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.18 -36.27 67.11 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.384 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.89 -36.43 72.39 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.334 1.425 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -64.06 -39.31 93.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.63 1.559 . . . . 0.0 110.01 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.58 -60.37 3.77 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.3 -31.99 72.66 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.937 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.81 0 CA-C-N 120.203 1.365 . . . . 0.0 110.433 -179.435 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 CA--C 1.513 -0.461 0 CA-C-O 119.133 -0.46 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.89 -43.78 98.0 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.059 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.9 mt -57.16 -52.86 50.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 m -47.7 -47.71 29.67 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.542 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.5 -50.14 72.67 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.503 1.047 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -69.03 -54.55 14.57 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.6 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -49.94 -39.54 40.65 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.642 -0.695 . . . . 0.0 111.067 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.22 -50.62 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.34 64.08 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.2 mmt -61.48 -47.42 85.74 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.288 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -53.51 -38.97 64.23 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.691 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.77 -44.42 18.62 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.072 0.851 . . . . 0.0 110.1 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.0 mt -57.44 -32.96 42.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.551 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.83 -21.41 4.17 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.334 1.879 . . . . 0.0 114.423 -175.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -91.78 -48.85 6.57 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.838 1.654 . . . . 0.0 108.841 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -52.11 -46.19 65.18 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.29 0.95 . . . . 0.0 109.741 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.97 -47.37 80.9 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.012 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.63 -43.01 84.53 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.945 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.1 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.152 -0.927 . . . . 0.0 109.839 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -54.53 -37.75 65.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.53 1.514 . . . . 0.0 109.02 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.95 -48.38 80.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.804 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -53.91 -54.39 39.42 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.487 1.039 . . . . 0.0 110.383 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.97 -26.69 60.31 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.396 -1.288 . . . . 0.0 112.058 -170.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.808 0 CA-C-N 120.624 1.556 . . . . 0.0 110.938 176.639 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 m . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 118.121 -0.943 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.31 1.414 . . . . 0.0 108.079 172.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.04 -50.85 77.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t -52.19 -49.0 64.72 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.904 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.28 -51.16 60.13 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.705 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -59.57 -43.92 93.45 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.618 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 t -56.92 -41.9 79.01 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.351 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.67 -47.35 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.28 8.42 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.221 -0.991 . . . . 0.0 110.012 -175.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -35.51 76.46 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.744 -177.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.52 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 16.2 t70 -63.18 -57.92 8.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -49.68 -42.19 44.9 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 118.708 0.685 . . . . 0.0 110.979 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.51 -33.43 59.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.232 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 15' ' ' ASP 0.264 0.7 OUTLIER -50.22 -21.47 1.36 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.719 2.054 . . . . 0.0 115.266 -171.345 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -88.19 -48.08 7.97 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.117 1.78 . . . . 0.0 108.311 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -49.3 -45.88 45.79 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 118.964 0.802 . . . . 0.0 109.73 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -55.7 -48.18 75.56 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.951 0.796 . . . . 0.0 110.52 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.93 -44.68 87.03 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.435 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.81 -34.51 66.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-O 118.13 -0.938 . . . . 0.0 108.735 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -53.31 -35.93 60.7 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.932 1.242 . . . . 0.0 109.646 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -62.49 -50.25 72.13 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.811 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.82 -53.83 46.93 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.695 1.134 . . . . 0.0 110.732 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -59.62 -33.23 71.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.382 -0.818 . . . . 0.0 110.95 -168.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.712 0 CA-C-N 118.888 0.767 . . . . 0.0 109.874 178.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.2 m . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.46 -48.57 74.78 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -48.68 87.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 m -59.89 -50.85 72.17 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.145 0.884 . . . . 0.0 109.95 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.93 -50.96 60.13 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.44 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.53 -46.54 86.58 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.111 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 t -58.91 -37.14 75.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.038 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.2 mm -65.84 -47.49 85.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.42 -42.43 67.04 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.307 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.2 mmt -66.52 -42.18 87.69 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.27 -50.69 61.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.479 1.036 . . . . 0.0 109.403 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.99 -47.35 45.95 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.5 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.03 -27.92 37.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.294 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -50.36 -50.24 51.89 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.653 1.569 . . . . 0.0 111.223 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.65 -48.61 25.3 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.209 0.913 . . . . 0.0 109.849 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -54.73 -38.98 67.78 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.043 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.35 -45.68 84.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.158 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.28 -43.83 75.11 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.142 1.337 . . . . 0.0 108.774 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.59 -29.84 48.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-O 117.748 -1.12 . . . . 0.0 110.128 -178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.24 -38.51 71.19 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.724 1.602 . . . . 0.0 108.761 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -57.73 -47.84 81.31 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.886 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.69 -48.89 79.56 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.632 -0.827 . . . . 0.0 108.802 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -57.72 -39.81 78.12 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.317 -173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.582 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.196 -175.505 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 CA--C 1.512 -0.508 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -63.86 -45.25 90.29 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.339 1.427 . . . . 0.0 108.171 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.47 -45.77 93.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.0 m -60.47 -51.54 69.03 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.961 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.464 0.574 . . . . 0.0 110.429 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.33 -47.46 81.49 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.094 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -62.31 -39.48 93.16 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.789 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -60.79 -46.71 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.64 -53.87 45.75 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.46 -35.11 73.45 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.442 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 17.1 t70 -60.47 -60.15 4.27 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.764 1.165 . . . . 0.0 109.761 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -64.43 -33.32 75.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.434 1.015 . . . . 0.0 112.091 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.17 -34.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-O 117.599 -1.191 . . . . 0.0 110.627 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -48.27 -25.73 1.67 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -171.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -85.84 -48.93 8.31 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.614 1.552 . . . . 0.0 108.834 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.47 -44.82 76.83 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.782 0.719 . . . . 0.0 109.971 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.68 -46.88 80.9 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.872 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.96 -46.08 90.56 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.251 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.43 -29.9 43.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.431 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -53.02 -38.26 62.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.747 1.612 . . . . 0.0 109.613 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.13 -42.59 96.75 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 120.73 1.604 . . . . 0.0 109.753 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.04 -53.78 52.79 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 109.125 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.99 -32.73 74.59 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.852 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.833 0 CA-C-N 120.065 1.302 . . . . 0.0 110.956 -178.779 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -67.45 -45.09 77.03 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 107.627 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.94 -49.19 84.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -54.03 -51.48 63.89 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.168 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -52.51 -52.79 52.91 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.284 0.947 . . . . 0.0 110.267 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -62.19 -37.84 86.82 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.6 t -66.9 -39.94 87.59 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.32 0.964 . . . . 0.0 110.006 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.63 -46.09 93.47 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -49.47 71.45 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.069 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.92 -46.89 84.3 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.805 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -49.99 73.75 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.85 -175.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.93 -55.88 16.56 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -48.31 -37.7 7.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.633 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -39.84 -50.16 2.41 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 119.624 1.102 . . . . 0.0 112.592 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.65 -45.12 65.74 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.051 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -51.91 -44.57 63.89 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.858 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.12 -49.26 78.54 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.428 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.34 -47.13 84.75 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.145 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.5 -33.09 50.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.269 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.58 -29.55 68.03 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.524 1.511 . . . . 0.0 110.297 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.51 -40.39 78.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.534 1.515 . . . . 0.0 108.876 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.1 -52.07 66.45 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.979 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.6 -27.28 69.13 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.931 1.241 . . . . 0.0 110.656 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.754 0 CA-C-N 120.308 1.413 . . . . 0.0 110.918 178.615 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m . . . . . 0 CA--C 1.513 -0.445 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -68.21 -48.51 65.0 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.814 1.188 . . . . 0.0 108.494 176.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.22 -48.47 83.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -56.12 -54.65 42.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.455 1.025 . . . . 0.0 110.396 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.01 -52.39 58.57 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.662 0.665 . . . . 0.0 110.114 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.73 -35.66 80.49 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.819 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -62.51 -39.03 92.21 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.515 1.052 . . . . 0.0 110.137 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -69.5 -47.6 71.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.12 71.65 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.392 -0.814 . . . . 0.0 109.401 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 mmt -61.46 -47.01 87.64 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.089 0.859 . . . . 0.0 109.65 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.12 -48.06 71.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.148 0.886 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -68.96 -46.79 67.24 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.029 -0.669 . . . . 0.0 110.021 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.2 mt -58.49 -37.34 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.022 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -46.99 -45.8 21.24 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 120.477 1.489 . . . . 0.0 111.103 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.49 -48.34 23.05 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.418 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -58.91 -42.33 89.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.361 0.982 . . . . 0.0 110.053 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -42.77 -50.0 5.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.865 0.757 . . . . 0.0 111.679 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.48 -42.67 99.14 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.05 -37.34 79.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.539 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -49.23 -43.56 42.77 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.11 1.323 . . . . 0.0 109.474 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -63.65 -45.11 91.66 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.12 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -49.73 -59.58 3.68 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.298 1.408 . . . . 0.0 109.495 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.377 -1.297 . . . . 0.0 111.33 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.801 0 CA-C-N 120.929 1.695 . . . . 0.0 110.025 178.808 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.1 m . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -68.83 -49.12 61.09 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.274 0.943 . . . . 0.0 108.74 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.87 -48.91 85.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 m -57.88 -52.64 64.67 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.178 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.37 -50.21 68.03 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 118.785 0.72 . . . . 0.0 110.152 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.2 t -63.23 -40.85 98.64 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.289 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.6 mm -65.86 -45.02 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 119.481 1.037 . . . . 0.0 108.437 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.88 -47.37 60.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.529 -0.868 . . . . 0.0 108.748 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -52.79 -37.05 59.21 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.337 -0.839 . . . . 0.0 111.296 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -80.12 -41.53 25.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.887 0.767 . . . . 0.0 110.709 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.68 -40.22 68.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 117.44 -1.267 . . . . 0.0 110.409 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.278 0.6 OUTLIER -54.32 -16.73 2.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.121 1.782 . . . . 0.0 114.175 -174.038 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.57 -50.23 4.81 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.875 1.67 . . . . 0.0 109.708 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -55.17 -48.59 73.54 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.167 1.349 . . . . 0.0 109.909 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.86 -45.58 30.4 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.561 0.619 . . . . 0.0 109.854 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -59.28 -41.22 88.39 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.172 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.54 -39.23 84.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 117.451 -1.262 . . . . 0.0 109.172 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -44.83 -38.62 4.67 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.116 1.325 . . . . 0.0 110.112 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -73.44 -43.21 60.85 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.3 -1.333 . . . . 0.0 110.874 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp -53.78 -58.34 7.58 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 120.999 1.727 . . . . 0.0 107.751 175.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -29.67 66.0 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.664 1.12 . . . . 0.0 111.05 -173.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.838 0 CA-C-N 120.071 1.305 . . . . 0.0 109.21 174.354 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.86 -34.12 77.1 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.464 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.87 -52.07 65.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -58.02 -43.29 86.63 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.884 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.299 0.954 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -62.48 -42.01 99.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.131 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -55.77 -39.21 70.92 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.729 0.695 . . . . 0.0 110.469 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.8 mt -67.3 -46.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.2 -53.51 56.31 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.788 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -61.13 -41.31 96.49 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.388 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -50.21 -57.23 8.25 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.622 0.576 . . . . 0.0 109.87 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -65.2 -51.2 62.48 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.64 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.2 mt -51.17 -42.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 117.112 -1.423 . . . . 0.0 110.236 -168.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -42.28 -44.82 3.99 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.196 1.362 . . . . 0.0 111.478 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.57 -49.49 40.03 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.467 0.576 . . . . 0.0 110.759 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.49 -37.18 80.22 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.384 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.51 -35.32 79.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.586 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.76 -42.52 93.44 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.106 1.776 . . . . 0.0 108.125 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.4 t -63.41 -33.59 62.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.892 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -54.21 -49.17 70.01 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 120.487 1.494 . . . . 0.0 107.063 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -56.17 -38.79 71.38 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.602 -1.19 . . . . 0.0 110.058 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.72 -56.74 17.67 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.955 1.707 . . . . 0.0 110.187 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.84 -23.73 67.32 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.87 -172.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.75 0 CA-C-N 119.441 1.019 . . . . 0.0 109.103 178.097 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 m . . . . . 0 CA--C 1.511 -0.538 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.29 -46.57 88.2 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.836 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm -57.01 -46.88 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 t -57.66 -53.95 52.42 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.9 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.34 -52.89 57.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.469 1.031 . . . . 0.0 109.663 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -59.63 -36.46 76.4 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.039 -0.982 . . . . 0.0 111.58 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t -66.22 -38.91 89.06 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.905 1.23 . . . . 0.0 109.826 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.33 -45.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.53 81.74 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.601 -0.84 . . . . 0.0 108.916 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.4 mmt -59.39 -49.63 77.06 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.088 0.858 . . . . 0.0 109.675 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.55 -49.36 72.88 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.144 -177.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -45.28 84.88 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.792 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.8 mt -58.25 -44.45 88.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 117.696 -1.145 . . . . 0.0 109.673 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -41.54 -50.05 4.02 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.099 1.318 . . . . 0.0 112.728 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -65.66 -50.21 65.81 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.675 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -51.63 -42.58 62.14 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -59.72 -49.62 77.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.724 0.693 . . . . 0.0 110.063 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.48 -44.29 96.09 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.373 -0.931 . . . . 0.0 110.282 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.84 -35.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.65 -0.691 . . . . 0.0 109.382 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.64 -33.79 70.46 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.564 1.075 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -60.41 -40.23 90.27 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 120.737 1.608 . . . . 0.0 108.586 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.96 -50.74 67.43 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.776 -1.106 . . . . 0.0 109.096 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.635 1.561 . . . . 0.0 109.441 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.539 176.639 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.13 -46.71 73.31 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.291 0.951 . . . . 0.0 108.764 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.33 -47.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 m -55.86 -51.77 66.39 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.387 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.96 -51.08 44.18 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.975 0.807 . . . . 0.0 110.53 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -58.33 -45.6 87.82 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.548 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -56.45 -38.53 71.78 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.965 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.13 -46.84 94.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 119.661 1.119 . . . . 0.0 108.229 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.1 -40.84 74.29 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.178 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 90.3 mmm -61.11 -40.27 93.11 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.373 0.988 . . . . 0.0 110.227 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.17 -46.54 62.1 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.339 0.972 . . . . 0.0 110.807 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -82.02 -40.08 22.6 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.39 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -59.75 -41.76 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -55.45 -52.22 64.34 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.518 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.8 -48.27 64.02 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.068 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -61.64 -43.7 98.37 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.553 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.41 -38.9 69.55 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.856 0.753 . . . . 0.0 110.646 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -51.06 71.57 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.95 -38.84 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -51.98 -40.83 61.53 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.247 1.385 . . . . 0.0 109.79 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -62.7 -41.35 99.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.2 -0.905 . . . . 0.0 109.506 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.24 -56.48 21.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.312 1.414 . . . . 0.0 109.939 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.69 -15.94 63.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.545 -1.217 . . . . 0.0 112.237 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.716 0 CA-C-N 120.552 1.524 . . . . 0.0 109.066 173.091 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.511 -0.522 0 CA-C-O 118.81 -0.614 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.39 -47.19 83.04 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.314 -0.851 . . . . 0.0 109.873 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.71 -55.96 16.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.6 m -50.39 -44.54 54.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.266 0.939 . . . . 0.0 110.74 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.72 -51.2 70.51 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.854 0.752 . . . . 0.0 109.794 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -63.2 -44.9 94.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -50.56 -46.57 57.69 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.846 0.748 . . . . 0.0 109.513 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.49 -48.17 89.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.22 3.83 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.641 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.45 -36.89 74.36 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.491 1.042 . . . . 0.0 110.2 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.45 -59.01 5.57 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.181 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.54 -46.86 66.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.626 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.04 -35.54 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.586 -1.674 . . . . 0.0 110.768 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -48.19 -50.32 29.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.058 1.754 . . . . 0.0 110.082 -175.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -62.69 -47.4 83.81 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.247 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -60.22 -36.59 78.05 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.117 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.93 -43.12 99.66 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.7 1.136 . . . . 0.0 109.632 -177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.82 -41.06 81.46 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.69 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.03 -34.64 71.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.907 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -49.88 -36.74 28.3 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.133 1.333 . . . . 0.0 111.047 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.25 -41.78 85.04 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.328 0.967 . . . . 0.0 110.21 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.82 -58.7 7.36 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.915 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.861 0 CA-C-N 120.324 1.42 . . . . 0.0 111.145 -179.613 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 CA--C 1.511 -0.553 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.86 156.88 0.1 Allowed 'General case' 0 C--N 1.356 0.882 0 O-C-N 123.74 0.65 . . . . 0.0 111.003 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.79 147.86 29.19 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.25 93.64 0.1 OUTLIER Glycine 0 C--N 1.354 1.557 0 CA-C-O 118.259 -1.301 . . . . 0.0 109.951 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 m -58.95 -45.16 91.14 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.269 1.535 . . . . 0.0 109.848 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.23 -43.52 95.98 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.23 0.923 . . . . 0.0 109.776 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.1 -49.29 85.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -57.11 -49.58 75.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 118.641 0.655 . . . . 0.0 110.135 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.82 -51.72 67.86 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.858 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -57.28 -41.61 80.08 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.562 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mm -65.12 -43.78 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.56 74.28 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.451 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 mmt -61.49 -43.18 99.33 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.583 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -53.44 -48.96 68.34 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.265 0.939 . . . . 0.0 111.178 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -75.14 -45.41 41.08 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.259 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.89 -33.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.579 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -53.49 -52.82 58.35 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 120.765 1.62 . . . . 0.0 110.636 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -72.45 -44.97 61.62 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.789 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -65.31 -31.9 73.28 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.457 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.08 -41.88 98.63 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 118.984 0.811 . . . . 0.0 109.944 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -58.13 -40.73 82.01 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 0.0 108.943 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.1 -35.92 73.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.711 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.63 -34.92 69.82 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.407 1.458 . . . . 0.0 109.262 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -55.12 -42.9 73.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.036 1.289 . . . . 0.0 108.964 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.76 -51.41 69.44 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.705 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.26 1.9 pp -55.94 -36.23 67.52 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.035 1.289 . . . . 0.0 110.869 -172.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.89 -49.77 72.5 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.488 1.04 . . . . 0.0 111.592 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -73.12 -62.65 1.39 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.163 0.892 . . . . 0.0 110.176 -174.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -59.22 -31.45 69.06 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.127 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.19 -44.79 97.04 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -62.18 -43.57 98.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.067 0.933 . . . . 0.0 108.921 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -52.6 -47.23 67.06 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -103.4 46.19 0.93 Allowed 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.947 0.779 . . . . 0.0 110.427 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -51.64 -42.84 62.36 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -153.11 60.41 0.78 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.615 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -110.79 37.53 2.76 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -174.72 140.28 0.58 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.763 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -159.05 56.78 0.42 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-N 120.499 1.5 . . . . 0.0 109.322 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.8 mt 54.15 81.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.6 m 65.34 74.1 0.39 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 -172.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? . . . . . 0 C--N 1.355 0.832 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.672 -173.812 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 CA--C 1.509 -0.612 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.8 54.21 11.43 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 123.773 0.671 . . . . 0.0 110.38 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -63.14 104.55 0.59 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.461 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.39 -164.9 32.8 Favored Glycine 0 C--N 1.354 1.554 0 CA-C-N 120.086 1.312 . . . . 0.0 110.236 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.3 m -112.9 -59.73 1.98 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.498 1.044 . . . . 0.0 108.599 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.95 -43.06 98.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -53.5 57.37 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.924 1.238 . . . . 0.0 109.481 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.36 -47.88 65.87 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.793 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.23 -44.49 95.1 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.12 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -54.31 -42.61 70.31 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.115 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.63 -46.02 80.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.87 16.27 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.662 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 119.106 0.866 . . . . 0.0 110.828 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.34 -52.01 63.56 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 118.772 0.714 . . . . 0.0 110.247 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -67.25 -41.88 84.84 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.258 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.56 -41.69 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.619 -1.182 . . . . 0.0 108.934 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -50.27 -52.78 33.46 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.957 1.253 . . . . 0.0 112.665 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.39 -49.95 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.945 1.248 . . . . 0.0 108.919 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -55.11 -36.68 65.97 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.843 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.63 -48.46 59.89 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.47 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.46 -45.05 76.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.045 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.18 -36.92 76.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.328 -0.844 . . . . 0.0 108.771 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.5 -30.38 66.99 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.322 1.419 . . . . 0.0 110.507 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -62.72 -36.82 84.21 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 121.512 1.96 . . . . 0.0 109.336 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.33 -48.41 81.46 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.938 1.244 . . . . 0.0 109.459 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.61 -30.21 70.54 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.59 1.541 . . . . 0.0 109.685 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.61 81.4 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.858 1.208 . . . . 0.0 109.239 174.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -60.91 -45.05 96.19 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.16 -33.14 73.95 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.883 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.48 -48.05 87.87 Favored Glycine 0 C--N 1.353 1.526 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.44 -49.69 75.44 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.454 1.127 . . . . 0.0 108.397 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -51.57 -45.6 63.14 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.481 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -98.75 58.03 1.16 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.18 -41.8 94.27 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -152.48 55.75 0.81 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -114.84 63.2 0.67 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.6 t60 58.49 83.05 0.13 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.655 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -93.02 82.99 4.63 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.1 mt 60.13 87.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.434 -0.794 . . . . 0.0 109.147 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 p 51.99 43.53 30.25 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.863 0.756 . . . . 0.0 109.224 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 C--N 1.356 0.855 0 O-C-N 123.678 0.611 . . . . 0.0 111.5 -179.67 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 119.05 -0.5 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.26 170.43 0.13 Allowed 'General case' 0 C--N 1.354 0.761 0 CA-C-O 119.409 -0.329 . . . . 0.0 111.749 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -72.11 148.63 45.54 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.05 104.26 0.17 Allowed Glycine 0 C--N 1.353 1.505 0 CA-C-O 117.127 -1.929 . . . . 0.0 109.212 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.5 m -57.52 -44.11 84.83 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.48 2.14 . . . . 0.0 109.778 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.73 -43.86 97.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.702 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.43 -48.78 85.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -54.81 -47.1 74.46 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 119.078 0.853 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -54.46 -50.98 66.44 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.441 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.97 -48.78 72.82 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.411 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.1 t -48.17 -41.24 26.41 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.251 0.478 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mm -66.19 -51.46 59.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.774 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.75 -60.07 3.71 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.257 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.69 67.89 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.012 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.4 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 31.2 t70 -67.36 -55.03 15.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.463 -1.256 . . . . 0.0 110.524 -176.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -57.46 -43.85 84.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.992 1.724 . . . . 0.0 109.305 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.88 -35.52 51.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 CA-C-O 117.008 -1.472 . . . . 0.0 111.835 -173.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 15' ' ' ASP 0.259 0.6 OUTLIER -53.96 -19.51 4.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 121.388 1.904 . . . . 0.0 115.62 -167.847 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.67 -52.36 5.18 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.11 1.777 . . . . 0.0 108.194 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -50.81 -37.71 44.22 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 118.536 0.607 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.82 -43.18 93.94 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.122 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.95 -40.94 86.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.407 1.458 . . . . 0.0 108.539 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.4 t -64.01 -30.39 49.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.259 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -52.84 -35.18 56.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.045 1.748 . . . . 0.0 108.25 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -66.6 -40.91 89.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.988 1.267 . . . . 0.0 111.095 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.33 -46.4 88.72 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.033 1.288 . . . . 0.0 107.772 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.86 -45.25 70.92 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.139 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.53 -37.71 73.51 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.623 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -60.82 -50.67 72.52 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -58.09 -22.81 52.23 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.854 -1.07 . . . . 0.0 111.638 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.24 -51.76 40.03 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 171.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -83.32 -64.64 1.13 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.18 68.24 0.5 Allowed 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -176.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 137.05 -64.95 0.0 OUTLIER 'General case' 0 C--N 1.356 0.875 0 N-CA-C 106.395 -1.705 . . . . 0.0 106.395 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.5 t0 59.75 60.33 2.24 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 81.5 t90 51.97 62.86 2.48 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -140.31 85.65 2.03 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.477 ' O ' ' CG ' ' A' ' 38' ' ' HIS . 78.5 t60 40.26 49.83 2.54 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.645 0.657 . . . . 0.0 109.458 -176.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -74.94 78.57 2.16 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt 55.22 71.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 74.03 10.88 4.47 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.453 -0.785 . . . . 0.0 111.479 -177.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.354 0.793 0 CA-C-N 119.676 1.125 . . . . 0.0 111.585 -177.274 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 CA--C 1.51 -0.592 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.11 64.58 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.3 85.27 7.33 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 171.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.26 175.21 4.41 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.797 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -60.97 -50.68 72.41 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.635 1.218 . . . . 0.0 108.396 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -48.9 -46.49 42.91 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.031 0.832 . . . . 0.0 110.437 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.28 -41.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -54.69 -48.66 72.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.718 1.144 . . . . 0.0 108.201 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -49.15 -46.33 45.05 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.257 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -67.0 -48.0 69.78 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.472 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -47.98 -38.02 15.95 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 118.624 0.647 . . . . 0.0 110.67 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mm -72.56 -49.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.97 -56.46 14.1 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.807 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ptm -55.67 -38.63 69.86 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.829 1.195 . . . . 0.0 111.436 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.88 -55.45 14.66 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.49 1.041 . . . . 0.0 109.304 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.36 -40.68 78.58 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.036 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.44 -39.51 82.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.149 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -43.88 -48.74 8.44 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.782 1.628 . . . . 0.0 110.761 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.34 -49.23 44.54 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.451 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -56.29 -39.22 72.33 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.861 0.755 . . . . 0.0 111.19 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -62.08 -42.35 99.12 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.171 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.35 -39.22 89.8 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.034 1.288 . . . . 0.0 109.346 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.18 -36.27 67.11 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.384 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.89 -36.43 72.39 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.334 1.425 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -64.06 -39.31 93.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.63 1.559 . . . . 0.0 110.01 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.58 -60.37 3.77 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.3 -31.99 72.66 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.937 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.9 -33.1 35.41 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.203 1.365 . . . . 0.0 110.433 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -60.69 -47.13 87.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.34 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -56.08 -25.69 46.5 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.891 1.223 . . . . 0.0 112.625 -170.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.94 -42.67 38.95 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -84.85 -51.68 6.58 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.746 172.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt 58.98 62.43 1.88 Allowed 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 53.01 62.9 2.46 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.882 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -111.8 65.58 0.63 Allowed 'General case' 0 C--N 1.352 0.687 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.1 t90 53.89 70.14 0.64 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.151 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.39 26.0 4.13 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.277 0.944 . . . . 0.0 111.791 173.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -160.78 101.29 1.3 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -125.88 58.62 1.33 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -173.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.7 mt 70.51 115.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.824 0 O-C-N 125.116 1.51 . . . . 0.0 107.206 -176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 m 50.51 63.49 2.2 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 119.318 0.963 . . . . 0.0 108.866 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 . . . . . 0 C--N 1.354 0.776 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.631 178.566 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.74 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.448 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.17 -58.36 6.2 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 121.182 1.81 . . . . 0.0 107.245 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.2 71.05 0.62 Allowed Glycine 0 C--N 1.355 1.619 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m -50.6 -43.48 56.69 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.792 1.796 . . . . 0.0 109.997 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.89 -43.78 98.0 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.059 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.9 mt -57.16 -52.86 50.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 m -47.7 -47.71 29.67 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.542 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.5 -50.14 72.67 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.503 1.047 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -69.03 -54.55 14.57 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.6 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -49.94 -39.54 40.65 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.642 -0.695 . . . . 0.0 111.067 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.22 -50.62 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.34 64.08 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.2 mmt -61.48 -47.42 85.74 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.288 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -53.51 -38.97 64.23 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.691 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.77 -44.42 18.62 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.072 0.851 . . . . 0.0 110.1 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.0 mt -57.44 -32.96 42.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.551 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.83 -21.41 4.17 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.334 1.879 . . . . 0.0 114.423 -175.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -91.78 -48.85 6.57 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.838 1.654 . . . . 0.0 108.841 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -52.11 -46.19 65.18 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.29 0.95 . . . . 0.0 109.741 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.97 -47.37 80.9 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.012 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.63 -43.01 84.53 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.945 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.1 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.152 -0.927 . . . . 0.0 109.839 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -54.53 -37.75 65.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.53 1.514 . . . . 0.0 109.02 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.95 -48.38 80.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.804 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -53.91 -54.39 39.42 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.487 1.039 . . . . 0.0 110.383 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.97 -26.69 60.31 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.396 -1.288 . . . . 0.0 112.058 -170.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.45 89.55 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.624 1.556 . . . . 0.0 110.938 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.15 -42.24 69.4 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.463 -0.779 . . . . 0.0 109.712 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -32.77 74.51 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.72 -44.63 62.19 Favored Glycine 0 C--N 1.355 1.585 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -56.55 20.38 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -43.61 -49.15 7.68 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -86.49 49.38 1.79 Allowed 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.668 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.67 -56.1 5.17 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -147.2 58.3 1.15 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -121.06 49.09 1.53 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 160.41 65.19 0.0 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.898 1.374 . . . . 0.0 107.853 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -160.98 84.91 0.67 Allowed 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -172.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.6 mt 60.6 77.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 m 63.28 72.68 0.47 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 C--N 1.355 0.813 0 CA-C-O 121.253 0.549 . . . . 0.0 109.907 175.803 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.63 -101.54 0.05 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.014 -1.469 . . . . 0.0 110.073 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -79.22 105.56 10.63 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 121.221 1.828 . . . . 0.0 106.301 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.74 73.85 2.51 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 m -144.26 -63.75 0.37 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.263 1.031 . . . . 0.0 109.023 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.31 1.414 . . . . 0.0 108.079 172.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.04 -50.85 77.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t -52.19 -49.0 64.72 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.904 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.28 -51.16 60.13 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.705 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -59.57 -43.92 93.45 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.618 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 t -56.92 -41.9 79.01 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.351 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.67 -47.35 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.28 8.42 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.221 -0.991 . . . . 0.0 110.012 -175.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -35.51 76.46 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.744 -177.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.52 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 16.2 t70 -63.18 -57.92 8.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -49.68 -42.19 44.9 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 118.708 0.685 . . . . 0.0 110.979 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.51 -33.43 59.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.232 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 15' ' ' ASP 0.264 0.7 OUTLIER -50.22 -21.47 1.36 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.719 2.054 . . . . 0.0 115.266 -171.345 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -88.19 -48.08 7.97 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.117 1.78 . . . . 0.0 108.311 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -49.3 -45.88 45.79 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 118.964 0.802 . . . . 0.0 109.73 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -55.7 -48.18 75.56 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.951 0.796 . . . . 0.0 110.52 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.93 -44.68 87.03 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.435 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.81 -34.51 66.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-O 118.13 -0.938 . . . . 0.0 108.735 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -53.31 -35.93 60.7 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.932 1.242 . . . . 0.0 109.646 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -62.49 -50.25 72.13 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.811 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.82 -53.83 46.93 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.695 1.134 . . . . 0.0 110.732 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -59.62 -33.23 71.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.382 -0.818 . . . . 0.0 110.95 -168.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.02 -50.42 73.48 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.888 0.767 . . . . 0.0 109.874 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -70.43 -29.23 65.77 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.485 -1.245 . . . . 0.0 110.06 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -49.05 79.18 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.16 -49.53 67.3 Favored Glycine 0 C--N 1.353 1.512 0 C-N-CA 119.753 -1.213 . . . . 0.0 110.997 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -56.63 -36.14 69.13 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 117.687 0.744 . . . . 0.0 109.912 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt 52.4 43.43 30.91 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 38.46 46.37 0.94 Allowed 'General case' 0 C--N 1.352 0.681 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.82 -49.01 78.08 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -144.03 39.28 1.34 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-O 119.142 -0.456 . . . . 0.0 110.07 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -93.21 72.03 4.55 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 47.55 47.8 17.27 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.33 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -89.45 60.16 5.08 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.4 mt 54.4 46.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -175.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -159.8 39.75 0.19 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 118.884 -0.579 . . . . 0.0 112.561 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? . . . . . 0 C--N 1.355 0.831 0 CA-C-N 119.378 0.99 . . . . 0.0 109.513 -177.25 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 CA--C 1.508 -0.655 0 CA-C-O 118.839 -0.6 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.74 160.72 31.11 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.08 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.25 -47.37 86.35 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.92 72.66 0.25 Allowed Glycine 0 C--N 1.355 1.587 0 C-N-CA 119.948 -1.12 . . . . 0.0 111.945 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.2 m -140.01 -64.23 0.48 Allowed 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.46 -48.57 74.78 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -48.68 87.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 m -59.89 -50.85 72.17 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.145 0.884 . . . . 0.0 109.95 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.93 -50.96 60.13 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.44 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.53 -46.54 86.58 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.111 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 t -58.91 -37.14 75.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.038 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.2 mm -65.84 -47.49 85.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.42 -42.43 67.04 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.307 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.2 mmt -66.52 -42.18 87.69 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.27 -50.69 61.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.479 1.036 . . . . 0.0 109.403 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.99 -47.35 45.95 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.5 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.03 -27.92 37.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.294 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -50.36 -50.24 51.89 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.653 1.569 . . . . 0.0 111.223 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.65 -48.61 25.3 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.209 0.913 . . . . 0.0 109.849 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -54.73 -38.98 67.78 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.043 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.35 -45.68 84.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.158 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.28 -43.83 75.11 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.142 1.337 . . . . 0.0 108.774 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.59 -29.84 48.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-O 117.748 -1.12 . . . . 0.0 110.128 -178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.24 -38.51 71.19 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.724 1.602 . . . . 0.0 108.761 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -57.73 -47.84 81.31 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.886 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.69 -48.89 79.56 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.632 -0.827 . . . . 0.0 108.802 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -57.72 -39.81 78.12 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.317 -173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.02 -48.77 67.36 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.196 -175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -60.41 -62.34 1.94 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.506 -1.235 . . . . 0.0 108.273 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -49.38 -32.12 10.85 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.737 1.608 . . . . 0.0 111.624 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 -51.55 57.18 Favored Glycine 0 C--N 1.353 1.5 0 C-N-CA 119.553 -1.308 . . . . 0.0 110.122 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -70.38 -58.52 3.64 Favored 'General case' 0 C--N 1.355 0.804 0 N-CA-C 107.886 -1.154 . . . . 0.0 107.886 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm 75.93 62.08 0.05 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m120 50.37 48.58 22.13 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.562 0.539 . . . . 0.0 110.824 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -95.89 61.75 2.2 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 36.1 t90 49.28 54.09 11.55 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 119.162 -0.447 . . . . 0.0 110.545 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.65 59.84 1.6 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 174.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.6 t60 166.65 117.55 0.01 OUTLIER 'General case' 0 C--N 1.353 0.761 0 CA-C-O 116.424 -1.75 . . . . 0.0 106.839 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -141.44 61.13 1.48 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.843 1.656 . . . . 0.0 110.292 -174.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt 58.45 83.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t 41.57 49.54 3.66 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.508 0.595 . . . . 0.0 109.539 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 C--N 1.353 0.744 0 O-C-N 123.915 0.759 . . . . 0.0 111.115 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.66 -105.35 0.06 Allowed 'General case' 0 C--N 1.356 0.875 0 CA-C-O 116.98 -1.486 . . . . 0.0 110.951 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -84.79 87.47 7.32 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 104.635 -2.357 . . . . 0.0 104.635 172.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.8 68.06 3.62 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 108.762 -1.735 . . . . 0.0 108.762 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.2 m -135.16 -64.49 0.65 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -63.86 -45.25 90.29 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.339 1.427 . . . . 0.0 108.171 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.47 -45.77 93.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.0 m -60.47 -51.54 69.03 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.961 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.464 0.574 . . . . 0.0 110.429 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.33 -47.46 81.49 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.094 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -62.31 -39.48 93.16 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.789 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -60.79 -46.71 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.64 -53.87 45.75 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.46 -35.11 73.45 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.442 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 17.1 t70 -60.47 -60.15 4.27 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.764 1.165 . . . . 0.0 109.761 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -64.43 -33.32 75.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.434 1.015 . . . . 0.0 112.091 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.17 -34.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-O 117.599 -1.191 . . . . 0.0 110.627 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -48.27 -25.73 1.67 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -171.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -85.84 -48.93 8.31 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.614 1.552 . . . . 0.0 108.834 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.47 -44.82 76.83 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.782 0.719 . . . . 0.0 109.971 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.68 -46.88 80.9 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.872 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.96 -46.08 90.56 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.251 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.43 -29.9 43.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.431 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -53.02 -38.26 62.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.747 1.612 . . . . 0.0 109.613 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.13 -42.59 96.75 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 120.73 1.604 . . . . 0.0 109.753 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.04 -53.78 52.79 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 109.125 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.99 -32.73 74.59 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.852 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 -34.92 64.92 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.065 1.302 . . . . 0.0 110.956 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -51.94 -35.97 47.7 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.232 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -44.55 -31.37 1.1 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-O 118.178 -0.915 . . . . 0.0 113.322 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.06 -63.18 4.96 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 119.65 1.114 . . . . 0.0 111.034 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -80.09 -59.65 2.64 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.62 42.86 31.66 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.659 0.6 . . . . 0.0 109.702 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ASP . 54.3 m-80 -161.97 -59.58 0.05 OUTLIER 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.46 -1.257 . . . . 0.0 110.671 176.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' ASN . 5.8 m-20 -28.17 -45.64 0.03 OUTLIER 'General case' 0 C--N 1.358 0.942 0 CA-C-N 118.832 0.742 . . . . 0.0 112.513 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.2 t90 -149.59 67.09 1.0 Allowed 'General case' 0 C--N 1.353 0.721 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -153.72 69.58 0.8 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 61.98 70.25 0.59 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.398 0.436 . . . . 0.0 111.33 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -79.19 79.94 5.57 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 118.867 -0.587 . . . . 0.0 109.668 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 mt 56.49 55.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 171.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m 52.87 50.37 18.17 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 . . . . . 0 C--N 1.354 0.782 0 CA-C-O 121.195 0.521 . . . . 0.0 110.707 179.132 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.2 t80 . . . . . 0 CA--C 1.512 -0.506 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.58 115.13 2.35 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.643 -1.17 . . . . 0.0 108.256 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -94.98 -126.55 0.12 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-O 115.987 -1.958 . . . . 0.0 105.846 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.82 85.82 1.45 Allowed Glycine 0 C--N 1.354 1.582 0 CA-C-N 122.619 2.463 . . . . 0.0 107.66 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.5 m -134.52 -70.93 0.5 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.77 1.285 . . . . 0.0 109.155 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -67.45 -45.09 77.03 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 107.627 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.94 -49.19 84.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -54.03 -51.48 63.89 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.168 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -52.51 -52.79 52.91 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.284 0.947 . . . . 0.0 110.267 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -62.19 -37.84 86.82 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.6 t -66.9 -39.94 87.59 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.32 0.964 . . . . 0.0 110.006 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.63 -46.09 93.47 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -49.47 71.45 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.069 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.92 -46.89 84.3 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.805 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -49.99 73.75 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.85 -175.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.93 -55.88 16.56 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -48.31 -37.7 7.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.633 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -39.84 -50.16 2.41 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 119.624 1.102 . . . . 0.0 112.592 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.65 -45.12 65.74 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.051 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -51.91 -44.57 63.89 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.858 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.12 -49.26 78.54 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.428 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.34 -47.13 84.75 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.145 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.5 -33.09 50.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.269 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.58 -29.55 68.03 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.524 1.511 . . . . 0.0 110.297 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.51 -40.39 78.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.534 1.515 . . . . 0.0 108.876 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.1 -52.07 66.45 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.979 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.6 -27.28 69.13 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.931 1.241 . . . . 0.0 110.656 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.96 46.3 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.308 1.413 . . . . 0.0 110.918 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -78.34 -26.33 46.74 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.176 -1.868 . . . . 0.0 112.34 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -49.37 -34.98 17.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 122.506 2.412 . . . . 0.0 112.135 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.69 56.91 Favored Glycine 0 C--N 1.353 1.525 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.107 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -73.3 -66.16 0.72 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm 48.89 50.84 17.03 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -169.67 -55.35 0.02 OUTLIER 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.123 -0.941 . . . . 0.0 111.795 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -40.17 -48.36 2.53 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 119.294 0.952 . . . . 0.0 110.768 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -150.76 60.97 0.93 Allowed 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -131.07 69.09 1.47 Allowed 'General case' 0 C--N 1.354 0.767 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 54.55 31.95 15.97 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.619 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -80.7 70.43 7.45 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt 52.4 55.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t -155.49 48.35 0.52 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--N 1.355 0.844 0 CA-C-O 121.714 0.769 . . . . 0.0 109.849 -175.246 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 p90 . . . . . 0 CA--C 1.512 -0.509 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.16 55.37 9.61 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.792 0.724 . . . . 0.0 110.104 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.96 145.36 55.99 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.89 -145.18 10.15 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.723 -1.598 . . . . 0.0 110.93 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m -142.95 -65.81 0.39 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.086 1.443 . . . . 0.0 109.622 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -68.21 -48.51 65.0 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.814 1.188 . . . . 0.0 108.494 176.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.22 -48.47 83.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -56.12 -54.65 42.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.455 1.025 . . . . 0.0 110.396 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.01 -52.39 58.57 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.662 0.665 . . . . 0.0 110.114 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.73 -35.66 80.49 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.819 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -62.51 -39.03 92.21 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.515 1.052 . . . . 0.0 110.137 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -69.5 -47.6 71.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.12 71.65 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.392 -0.814 . . . . 0.0 109.401 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 mmt -61.46 -47.01 87.64 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.089 0.859 . . . . 0.0 109.65 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.12 -48.06 71.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.148 0.886 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -68.96 -46.79 67.24 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.029 -0.669 . . . . 0.0 110.021 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.2 mt -58.49 -37.34 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.022 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -46.99 -45.8 21.24 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 120.477 1.489 . . . . 0.0 111.103 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.49 -48.34 23.05 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.418 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -58.91 -42.33 89.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.361 0.982 . . . . 0.0 110.053 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -42.77 -50.0 5.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.865 0.757 . . . . 0.0 111.679 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.48 -42.67 99.14 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.05 -37.34 79.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.539 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -49.23 -43.56 42.77 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.11 1.323 . . . . 0.0 109.474 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -63.65 -45.11 91.66 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.12 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -49.73 -59.58 3.68 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.298 1.408 . . . . 0.0 109.495 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.377 -1.297 . . . . 0.0 111.33 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.32 -35.55 70.01 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.929 1.695 . . . . 0.0 110.025 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -56.26 -34.0 65.98 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.615 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -25.66 53.3 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.2 1.364 . . . . 0.0 112.207 -174.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.76 48.56 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -80.84 -53.0 6.87 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt 56.81 57.23 4.84 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 48.22 36.63 7.01 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.2 -43.28 87.22 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 170.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -152.79 65.2 0.79 Allowed 'General case' 0 C--N 1.357 0.909 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 38' ' ' HIS . 26.1 tptp -147.51 80.59 1.51 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-O 118.625 -0.703 . . . . 0.0 109.233 -174.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 37' ' ' LYS 0.263 6.6 m-70 115.56 67.88 0.0 OUTLIER 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.681 1.238 . . . . 0.0 108.578 178.23 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -75.41 84.33 2.52 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.1 mt 58.25 70.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m 54.44 38.63 29.98 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.888 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 . . . . . 0 C--N 1.353 0.746 0 CA-C-O 122.13 0.967 . . . . 0.0 111.267 175.466 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 CA--C 1.513 -0.448 0 CA-C-O 118.201 -0.904 . . . . 0.0 108.798 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.68 163.32 0.18 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.401 0.546 . . . . 0.0 111.627 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -99.58 150.48 22.2 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.51 -136.64 2.99 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 117.78 -1.567 . . . . 0.0 111.803 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.1 m -148.04 -65.87 0.25 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.136 1.468 . . . . 0.0 108.814 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -68.83 -49.12 61.09 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.274 0.943 . . . . 0.0 108.74 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.87 -48.91 85.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 m -57.88 -52.64 64.67 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.178 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.37 -50.21 68.03 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 118.785 0.72 . . . . 0.0 110.152 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.2 t -63.23 -40.85 98.64 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.289 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.6 mm -65.86 -45.02 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 119.481 1.037 . . . . 0.0 108.437 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.88 -47.37 60.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.529 -0.868 . . . . 0.0 108.748 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -52.79 -37.05 59.21 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.337 -0.839 . . . . 0.0 111.296 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -80.12 -41.53 25.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.887 0.767 . . . . 0.0 110.709 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.68 -40.22 68.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 117.44 -1.267 . . . . 0.0 110.409 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.278 0.6 OUTLIER -54.32 -16.73 2.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.121 1.782 . . . . 0.0 114.175 -174.038 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.57 -50.23 4.81 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.875 1.67 . . . . 0.0 109.708 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -55.17 -48.59 73.54 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.167 1.349 . . . . 0.0 109.909 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.86 -45.58 30.4 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.561 0.619 . . . . 0.0 109.854 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -59.28 -41.22 88.39 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.172 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.54 -39.23 84.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 117.451 -1.262 . . . . 0.0 109.172 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -44.83 -38.62 4.67 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.116 1.325 . . . . 0.0 110.112 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -73.44 -43.21 60.85 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.3 -1.333 . . . . 0.0 110.874 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp -53.78 -58.34 7.58 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 120.999 1.727 . . . . 0.0 107.751 175.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -29.67 66.0 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.664 1.12 . . . . 0.0 111.05 -173.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.67 97.13 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.071 1.305 . . . . 0.0 109.21 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -61.49 -45.95 92.07 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.42 -40.69 71.8 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.061 -0.971 . . . . 0.0 108.652 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.32 -55.63 18.55 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -51.29 -44.96 62.0 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 117.977 0.889 . . . . 0.0 109.639 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tttp 55.37 49.57 16.68 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 43.04 58.95 3.09 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 119.161 -0.447 . . . . 0.0 110.643 -175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -55.93 -57.43 12.11 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -166.84 63.48 0.09 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.46 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 38' ' ' HIS 0.283 0.0 OUTLIER -124.75 36.0 4.69 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 120.414 -0.514 . . . . 0.0 109.87 169.911 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 19.3 m80 -163.55 151.11 12.79 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.79 172.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -172.69 66.99 0.03 OUTLIER 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.819 0.736 . . . . 0.0 109.073 -172.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mt 59.89 77.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.765 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.5 m 57.96 55.16 5.48 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 . . . . . 0 C--N 1.356 0.866 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.434 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.3 p90 . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.31 -79.44 0.01 OUTLIER 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.705 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -71.77 139.35 48.98 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.716 1.598 . . . . 0.0 108.08 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.43 145.93 5.04 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 117.61 -1.661 . . . . 0.0 109.095 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.9 m -70.64 -53.05 17.33 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 120.075 1.938 . . . . 0.0 107.914 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.86 -34.12 77.1 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.464 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.87 -52.07 65.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -58.02 -43.29 86.63 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.884 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.299 0.954 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -62.48 -42.01 99.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.131 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -55.77 -39.21 70.92 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.729 0.695 . . . . 0.0 110.469 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.8 mt -67.3 -46.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.2 -53.51 56.31 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.788 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -61.13 -41.31 96.49 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.388 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -50.21 -57.23 8.25 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.622 0.576 . . . . 0.0 109.87 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -65.2 -51.2 62.48 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.64 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.2 mt -51.17 -42.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 117.112 -1.423 . . . . 0.0 110.236 -168.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -42.28 -44.82 3.99 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.196 1.362 . . . . 0.0 111.478 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.57 -49.49 40.03 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.467 0.576 . . . . 0.0 110.759 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.49 -37.18 80.22 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.384 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.51 -35.32 79.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.586 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.76 -42.52 93.44 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.106 1.776 . . . . 0.0 108.125 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.4 t -63.41 -33.59 62.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.892 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -54.21 -49.17 70.01 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 120.487 1.494 . . . . 0.0 107.063 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -56.17 -38.79 71.38 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.602 -1.19 . . . . 0.0 110.058 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.72 -56.74 17.67 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.955 1.707 . . . . 0.0 110.187 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.84 -23.73 67.32 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.87 -172.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.78 -45.84 63.95 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.441 1.019 . . . . 0.0 109.103 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -69.17 -42.35 76.01 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.13 -1.414 . . . . 0.0 110.442 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -57.94 -35.68 71.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.346 1.884 . . . . 0.0 110.029 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.63 -41.27 84.52 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-O 118.529 -1.151 . . . . 0.0 110.4 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.34 -53.7 48.51 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.125 1.462 . . . . 0.0 107.649 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -50.77 -43.49 58.5 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -96.69 53.29 1.24 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -58.53 -47.15 85.15 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -156.69 71.01 0.67 Allowed 'General case' 0 C--N 1.353 0.75 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -144.88 80.21 1.62 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.657 -175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.1 m170 52.28 59.73 4.31 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.478 167.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -156.08 67.5 0.6 Allowed 'General case' 0 C--N 1.351 0.658 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.654 -178.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 35.6 mt 63.56 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.315 0.5 OUTLIER 57.64 24.57 10.67 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 . . . . . 0 C--N 1.355 0.821 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.031 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.16 -176.31 0.05 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.903 -0.57 . . . . 0.0 110.487 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.38 143.03 54.09 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 170.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.17 -39.22 1.76 Allowed Glycine 0 C--N 1.353 1.476 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 m -59.35 -49.21 78.69 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.846 1.323 . . . . 0.0 108.661 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.29 -46.57 88.2 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.836 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm -57.01 -46.88 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 t -57.66 -53.95 52.42 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.9 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.34 -52.89 57.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.469 1.031 . . . . 0.0 109.663 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -59.63 -36.46 76.4 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.039 -0.982 . . . . 0.0 111.58 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t -66.22 -38.91 89.06 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.905 1.23 . . . . 0.0 109.826 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.33 -45.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.53 81.74 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.601 -0.84 . . . . 0.0 108.916 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.4 mmt -59.39 -49.63 77.06 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.088 0.858 . . . . 0.0 109.675 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.55 -49.36 72.88 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.144 -177.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -45.28 84.88 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.792 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.8 mt -58.25 -44.45 88.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 117.696 -1.145 . . . . 0.0 109.673 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -41.54 -50.05 4.02 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.099 1.318 . . . . 0.0 112.728 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -65.66 -50.21 65.81 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.675 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -51.63 -42.58 62.14 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -59.72 -49.62 77.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.724 0.693 . . . . 0.0 110.063 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.48 -44.29 96.09 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.373 -0.931 . . . . 0.0 110.282 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.84 -35.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.65 -0.691 . . . . 0.0 109.382 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.64 -33.79 70.46 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.564 1.075 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -60.41 -40.23 90.27 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 120.737 1.608 . . . . 0.0 108.586 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.96 -50.74 67.43 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.776 -1.106 . . . . 0.0 109.096 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.635 1.561 . . . . 0.0 109.441 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.0 95.18 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.539 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -57.44 -59.53 5.01 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.152 -0.927 . . . . 0.0 109.259 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -24.64 66.29 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.92 1.236 . . . . 0.0 110.614 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.51 -53.06 40.88 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 172.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.73 -70.21 0.47 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.263 1.031 . . . . 0.0 108.244 175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? 81.35 -44.03 0.19 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.062 -0.97 . . . . 0.0 113.449 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -161.87 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.334 1.424 . . . . 0.0 113.721 -171.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -45.61 -41.83 10.54 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 120.973 1.715 . . . . 0.0 109.909 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -149.03 59.81 1.05 Allowed 'General case' 0 C--N 1.355 0.842 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.069 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -113.38 50.07 0.92 Allowed 'General case' 0 C--N 1.356 0.848 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 170.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -176.54 143.78 0.49 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.539 -1.22 . . . . 0.0 110.284 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -148.99 53.68 0.98 Allowed 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt 56.06 72.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.257 0.6 OUTLIER 100.75 -52.35 0.0 OUTLIER 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -177.614 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 CA--C 1.502 -0.9 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -172.4 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.8 50.85 17.78 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.237 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -57.36 -53.38 58.75 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.393 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -25.06 85.52 0.0 OUTLIER Glycine 0 C--N 1.355 1.586 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 -172.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.2 m -152.95 -66.63 0.16 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.13 -46.71 73.31 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.291 0.951 . . . . 0.0 108.764 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.33 -47.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 m -55.86 -51.77 66.39 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.387 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.96 -51.08 44.18 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.975 0.807 . . . . 0.0 110.53 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -58.33 -45.6 87.82 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.548 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -56.45 -38.53 71.78 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.965 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.13 -46.84 94.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 119.661 1.119 . . . . 0.0 108.229 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.1 -40.84 74.29 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.178 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 90.3 mmm -61.11 -40.27 93.11 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.373 0.988 . . . . 0.0 110.227 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.17 -46.54 62.1 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.339 0.972 . . . . 0.0 110.807 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -82.02 -40.08 22.6 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.39 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -59.75 -41.76 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -55.45 -52.22 64.34 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.518 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.8 -48.27 64.02 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.068 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -61.64 -43.7 98.37 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.553 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.41 -38.9 69.55 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.856 0.753 . . . . 0.0 110.646 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -51.06 71.57 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.95 -38.84 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -51.98 -40.83 61.53 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.247 1.385 . . . . 0.0 109.79 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -62.7 -41.35 99.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.2 -0.905 . . . . 0.0 109.506 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.24 -56.48 21.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.312 1.414 . . . . 0.0 109.939 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.69 -15.94 63.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.545 -1.217 . . . . 0.0 112.237 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.49 62.75 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.552 1.524 . . . . 0.0 109.066 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -69.74 87.76 0.52 Allowed 'General case' 0 C--N 1.356 0.866 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 162.1 -39.1 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.191 176.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.98 39.13 0.56 Allowed Glycine 0 C--N 1.357 1.736 0 CA-C-O 117.872 -1.516 . . . . 0.0 113.201 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -78.49 -55.73 4.98 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 173.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -18.41 19.63 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 116.699 -1.62 . . . . 0.0 111.765 177.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.84 50.42 1.08 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-N 120.747 1.612 . . . . 0.0 106.778 172.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -84.34 -50.25 7.99 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -145.09 49.84 1.26 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -127.7 44.57 2.9 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -174.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -172.98 72.59 0.03 OUTLIER 'General case' 0 C--N 1.353 0.735 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -149.24 79.42 1.4 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.836 -171.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 35.9 mt 55.47 75.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.9 m 62.38 67.18 0.74 Allowed 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 . . . . . 0 C--N 1.357 0.913 0 CA-C-O 121.707 0.765 . . . . 0.0 112.871 174.561 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.1 p90 . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 117.155 -1.402 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.67 66.58 0.79 Allowed 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.568 1.077 . . . . 0.0 109.597 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -44.17 -58.78 2.67 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.124 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.43 91.03 0.01 OUTLIER Glycine 0 C--N 1.356 1.649 0 CA-C-O 117.476 -1.735 . . . . 0.0 110.562 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -45.0 -42.64 8.47 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.85 2.325 . . . . 0.0 111.209 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.39 -47.19 83.04 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.314 -0.851 . . . . 0.0 109.873 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.71 -55.96 16.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.6 m -50.39 -44.54 54.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.266 0.939 . . . . 0.0 110.74 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.72 -51.2 70.51 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.854 0.752 . . . . 0.0 109.794 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -63.2 -44.9 94.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -50.56 -46.57 57.69 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.846 0.748 . . . . 0.0 109.513 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.49 -48.17 89.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.22 3.83 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.641 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.45 -36.89 74.36 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.491 1.042 . . . . 0.0 110.2 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.45 -59.01 5.57 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.181 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.54 -46.86 66.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.626 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.04 -35.54 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.586 -1.674 . . . . 0.0 110.768 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -48.19 -50.32 29.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.058 1.754 . . . . 0.0 110.082 -175.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -62.69 -47.4 83.81 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.247 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -60.22 -36.59 78.05 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.117 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.93 -43.12 99.66 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.7 1.136 . . . . 0.0 109.632 -177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.82 -41.06 81.46 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.69 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.03 -34.64 71.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.907 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -49.88 -36.74 28.3 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.133 1.333 . . . . 0.0 111.047 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.25 -41.78 85.04 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.328 0.967 . . . . 0.0 110.21 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.82 -58.7 7.36 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.915 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.99 -35.58 59.36 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.324 1.42 . . . . 0.0 111.145 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -51.29 -34.65 34.06 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.142 0.883 . . . . 0.0 111.009 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -54.32 -25.05 21.7 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.541 1.064 . . . . 0.0 112.965 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.17 -64.32 4.38 Favored Glycine 0 C--N 1.356 1.647 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.92 -60.14 2.45 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 tttt 60.2 48.73 7.93 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -170.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 35' ' ' ASP . 58.6 m-80 -159.5 -58.2 0.06 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-O 116.728 -1.606 . . . . 0.0 112.477 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' ASN . 10.3 t70 -30.54 -47.69 0.09 Allowed 'General case' 0 C--N 1.359 0.992 0 CA-C-N 119.747 1.158 . . . . 0.0 111.84 -172.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -153.04 60.52 0.78 Allowed 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 173.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -134.57 73.43 1.49 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 m170 53.89 51.45 14.78 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.379 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -106.04 50.59 0.77 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 mt 51.91 45.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 m -155.77 63.94 0.59 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 . . . . . 0 C--N 1.355 0.827 0 CA-C-N 119.598 1.09 . . . . 0.0 110.719 -177.56 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.23 -43.52 95.98 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.23 0.923 . . . . 0.0 109.776 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.1 -49.29 85.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -57.11 -49.58 75.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 118.641 0.655 . . . . 0.0 110.135 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.82 -51.72 67.86 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.858 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -57.28 -41.61 80.08 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.562 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mm -65.12 -43.78 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.56 74.28 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.451 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 mmt -61.49 -43.18 99.33 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.583 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -53.44 -48.96 68.34 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.265 0.939 . . . . 0.0 111.178 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -75.14 -45.41 41.08 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.259 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.89 -33.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.579 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -53.49 -52.82 58.35 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 120.765 1.62 . . . . 0.0 110.636 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -72.45 -44.97 61.62 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.789 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -65.31 -31.9 73.28 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.457 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.08 -41.88 98.63 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 118.984 0.811 . . . . 0.0 109.944 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -58.13 -40.73 82.01 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 0.0 108.943 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.1 -35.92 73.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.711 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.63 -34.92 69.82 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.407 1.458 . . . . 0.0 109.262 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -55.12 -42.9 73.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.036 1.289 . . . . 0.0 108.964 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.76 -51.41 69.44 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.705 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.26 1.9 pp -55.94 -36.23 67.52 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.035 1.289 . . . . 0.0 110.869 -172.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.621 0 CA-C-N 119.488 1.04 . . . . 0.0 111.592 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.3 m . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.498 1.044 . . . . 0.0 108.599 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.95 -43.06 98.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -53.5 57.37 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.924 1.238 . . . . 0.0 109.481 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.36 -47.88 65.87 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.793 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.23 -44.49 95.1 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.12 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -54.31 -42.61 70.31 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.115 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.63 -46.02 80.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.87 16.27 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.662 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 119.106 0.866 . . . . 0.0 110.828 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.34 -52.01 63.56 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 118.772 0.714 . . . . 0.0 110.247 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -67.25 -41.88 84.84 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.258 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.56 -41.69 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.619 -1.182 . . . . 0.0 108.934 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -50.27 -52.78 33.46 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.957 1.253 . . . . 0.0 112.665 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.39 -49.95 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.945 1.248 . . . . 0.0 108.919 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -55.11 -36.68 65.97 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.843 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.63 -48.46 59.89 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.47 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.46 -45.05 76.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.045 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.18 -36.92 76.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.328 -0.844 . . . . 0.0 108.771 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.5 -30.38 66.99 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.322 1.419 . . . . 0.0 110.507 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -62.72 -36.82 84.21 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 121.512 1.96 . . . . 0.0 109.336 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.33 -48.41 81.46 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.938 1.244 . . . . 0.0 109.459 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.61 -30.21 70.54 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.59 1.541 . . . . 0.0 109.685 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.867 0 CA-C-N 119.858 1.208 . . . . 0.0 109.239 174.328 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.5 m . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.73 -43.86 97.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.702 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.43 -48.78 85.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -54.81 -47.1 74.46 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 119.078 0.853 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -54.46 -50.98 66.44 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.441 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.97 -48.78 72.82 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.411 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.1 t -48.17 -41.24 26.41 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.251 0.478 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mm -66.19 -51.46 59.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.774 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.75 -60.07 3.71 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.257 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.69 67.89 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.012 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.36 -55.03 15.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.463 -1.256 . . . . 0.0 110.524 -176.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -57.46 -43.85 84.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.992 1.724 . . . . 0.0 109.305 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.88 -35.52 51.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 CA-C-O 117.008 -1.472 . . . . 0.0 111.835 -173.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.259 0.0 OUTLIER -53.96 -19.51 4.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 121.388 1.904 . . . . 0.0 115.62 -167.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.67 -52.36 5.18 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.11 1.777 . . . . 0.0 108.194 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -50.81 -37.71 44.22 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 118.536 0.607 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.82 -43.18 93.94 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.122 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.95 -40.94 86.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.407 1.458 . . . . 0.0 108.539 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.4 t -64.01 -30.39 49.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.259 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -52.84 -35.18 56.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.045 1.748 . . . . 0.0 108.25 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -66.6 -40.91 89.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.988 1.267 . . . . 0.0 111.095 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.33 -46.4 88.72 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.033 1.288 . . . . 0.0 107.772 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.86 -45.25 70.92 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.139 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.738 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.623 -176.212 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 CA--C 1.51 -0.587 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -48.9 -46.49 42.91 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.031 0.832 . . . . 0.0 110.437 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.28 -41.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -54.69 -48.66 72.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.718 1.144 . . . . 0.0 108.201 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -49.15 -46.33 45.05 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.257 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -67.0 -48.0 69.78 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.472 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -47.98 -38.02 15.95 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 118.624 0.647 . . . . 0.0 110.67 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mm -72.56 -49.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.97 -56.46 14.1 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.807 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ptm -55.67 -38.63 69.86 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.829 1.195 . . . . 0.0 111.436 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.88 -55.45 14.66 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.49 1.041 . . . . 0.0 109.304 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.36 -40.68 78.58 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.036 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.44 -39.51 82.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.149 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -43.88 -48.74 8.44 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.782 1.628 . . . . 0.0 110.761 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.34 -49.23 44.54 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.451 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -56.29 -39.22 72.33 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.861 0.755 . . . . 0.0 111.19 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -62.08 -42.35 99.12 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.171 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.35 -39.22 89.8 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.034 1.288 . . . . 0.0 109.346 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.18 -36.27 67.11 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.384 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.89 -36.43 72.39 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.334 1.425 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -64.06 -39.31 93.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.63 1.559 . . . . 0.0 110.01 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.58 -60.37 3.77 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.3 -31.99 72.66 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.937 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.81 0 CA-C-N 120.203 1.365 . . . . 0.0 110.433 -179.435 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 CA--C 1.513 -0.461 0 CA-C-O 119.133 -0.46 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.89 -43.78 98.0 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.059 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.9 mt -57.16 -52.86 50.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 m -47.7 -47.71 29.67 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.542 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.5 -50.14 72.67 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.503 1.047 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -69.03 -54.55 14.57 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.6 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -49.94 -39.54 40.65 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.642 -0.695 . . . . 0.0 111.067 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.22 -50.62 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.34 64.08 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.2 mmt -61.48 -47.42 85.74 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.288 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -53.51 -38.97 64.23 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.691 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.77 -44.42 18.62 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.072 0.851 . . . . 0.0 110.1 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.0 mt -57.44 -32.96 42.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.551 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -21.41 4.17 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.334 1.879 . . . . 0.0 114.423 -175.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -91.78 -48.85 6.57 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.838 1.654 . . . . 0.0 108.841 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -52.11 -46.19 65.18 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.29 0.95 . . . . 0.0 109.741 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.97 -47.37 80.9 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.012 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.63 -43.01 84.53 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.945 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.1 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.152 -0.927 . . . . 0.0 109.839 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -54.53 -37.75 65.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.53 1.514 . . . . 0.0 109.02 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.95 -48.38 80.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.804 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -53.91 -54.39 39.42 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.487 1.039 . . . . 0.0 110.383 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.97 -26.69 60.31 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.396 -1.288 . . . . 0.0 112.058 -170.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.808 0 CA-C-N 120.624 1.556 . . . . 0.0 110.938 176.639 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 m . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 118.121 -0.943 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.31 1.414 . . . . 0.0 108.079 172.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.04 -50.85 77.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t -52.19 -49.0 64.72 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.904 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.28 -51.16 60.13 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.705 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -59.57 -43.92 93.45 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.618 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 t -56.92 -41.9 79.01 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.351 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.67 -47.35 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.28 8.42 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.221 -0.991 . . . . 0.0 110.012 -175.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -35.51 76.46 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.744 -177.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.18 -57.92 8.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -49.68 -42.19 44.9 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 118.708 0.685 . . . . 0.0 110.979 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.51 -33.43 59.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.232 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.264 0.0 OUTLIER -50.22 -21.47 1.36 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.719 2.054 . . . . 0.0 115.266 -171.345 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -88.19 -48.08 7.97 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.117 1.78 . . . . 0.0 108.311 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -49.3 -45.88 45.79 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 118.964 0.802 . . . . 0.0 109.73 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -55.7 -48.18 75.56 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.951 0.796 . . . . 0.0 110.52 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.93 -44.68 87.03 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.435 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.81 -34.51 66.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-O 118.13 -0.938 . . . . 0.0 108.735 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -53.31 -35.93 60.7 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.932 1.242 . . . . 0.0 109.646 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -62.49 -50.25 72.13 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.811 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.82 -53.83 46.93 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.695 1.134 . . . . 0.0 110.732 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -59.62 -33.23 71.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.382 -0.818 . . . . 0.0 110.95 -168.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.712 0 CA-C-N 118.888 0.767 . . . . 0.0 109.874 178.929 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.2 m . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.46 -48.57 74.78 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -48.68 87.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 m -59.89 -50.85 72.17 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.145 0.884 . . . . 0.0 109.95 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.93 -50.96 60.13 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.44 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.53 -46.54 86.58 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.111 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 t -58.91 -37.14 75.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.038 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.2 mm -65.84 -47.49 85.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.42 -42.43 67.04 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.307 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.2 mmt -66.52 -42.18 87.69 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.27 -50.69 61.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.479 1.036 . . . . 0.0 109.403 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.99 -47.35 45.95 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.5 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.03 -27.92 37.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.294 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -50.36 -50.24 51.89 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.653 1.569 . . . . 0.0 111.223 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.65 -48.61 25.3 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.209 0.913 . . . . 0.0 109.849 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -54.73 -38.98 67.78 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.043 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.35 -45.68 84.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.158 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.28 -43.83 75.11 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.142 1.337 . . . . 0.0 108.774 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.59 -29.84 48.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-O 117.748 -1.12 . . . . 0.0 110.128 -178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.24 -38.51 71.19 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.724 1.602 . . . . 0.0 108.761 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -57.73 -47.84 81.31 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.886 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.69 -48.89 79.56 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.632 -0.827 . . . . 0.0 108.802 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -57.72 -39.81 78.12 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.317 -173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.582 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.196 -175.505 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 CA--C 1.512 -0.508 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -63.86 -45.25 90.29 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.339 1.427 . . . . 0.0 108.171 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.47 -45.77 93.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.0 m -60.47 -51.54 69.03 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.961 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.464 0.574 . . . . 0.0 110.429 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.33 -47.46 81.49 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.094 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -62.31 -39.48 93.16 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.789 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -60.79 -46.71 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.64 -53.87 45.75 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.46 -35.11 73.45 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.47 -60.15 4.27 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.764 1.165 . . . . 0.0 109.761 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -64.43 -33.32 75.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.434 1.015 . . . . 0.0 112.091 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.17 -34.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-O 117.599 -1.191 . . . . 0.0 110.627 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -25.73 1.67 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -171.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -85.84 -48.93 8.31 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.614 1.552 . . . . 0.0 108.834 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.47 -44.82 76.83 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.782 0.719 . . . . 0.0 109.971 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.68 -46.88 80.9 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.872 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.96 -46.08 90.56 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.251 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.43 -29.9 43.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.431 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -53.02 -38.26 62.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.747 1.612 . . . . 0.0 109.613 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.13 -42.59 96.75 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 120.73 1.604 . . . . 0.0 109.753 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.04 -53.78 52.79 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 109.125 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.99 -32.73 74.59 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.852 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.833 0 CA-C-N 120.065 1.302 . . . . 0.0 110.956 -178.779 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -67.45 -45.09 77.03 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 107.627 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.94 -49.19 84.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -54.03 -51.48 63.89 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.168 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -52.51 -52.79 52.91 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.284 0.947 . . . . 0.0 110.267 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -62.19 -37.84 86.82 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.6 t -66.9 -39.94 87.59 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.32 0.964 . . . . 0.0 110.006 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.63 -46.09 93.47 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -49.47 71.45 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.069 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.92 -46.89 84.3 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.805 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -49.99 73.75 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.85 -175.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.93 -55.88 16.56 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -48.31 -37.7 7.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.633 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -39.84 -50.16 2.41 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 119.624 1.102 . . . . 0.0 112.592 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.65 -45.12 65.74 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.051 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -51.91 -44.57 63.89 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.858 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.12 -49.26 78.54 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.428 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.34 -47.13 84.75 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.145 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.5 -33.09 50.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.269 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.58 -29.55 68.03 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.524 1.511 . . . . 0.0 110.297 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.51 -40.39 78.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.534 1.515 . . . . 0.0 108.876 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.1 -52.07 66.45 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.979 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.6 -27.28 69.13 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.931 1.241 . . . . 0.0 110.656 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.754 0 CA-C-N 120.308 1.413 . . . . 0.0 110.918 178.615 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m . . . . . 0 CA--C 1.513 -0.445 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -68.21 -48.51 65.0 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.814 1.188 . . . . 0.0 108.494 176.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.22 -48.47 83.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -56.12 -54.65 42.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.455 1.025 . . . . 0.0 110.396 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.01 -52.39 58.57 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.662 0.665 . . . . 0.0 110.114 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.73 -35.66 80.49 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.819 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -62.51 -39.03 92.21 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.515 1.052 . . . . 0.0 110.137 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -69.5 -47.6 71.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.12 71.65 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.392 -0.814 . . . . 0.0 109.401 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 mmt -61.46 -47.01 87.64 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.089 0.859 . . . . 0.0 109.65 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.12 -48.06 71.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.148 0.886 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -68.96 -46.79 67.24 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.029 -0.669 . . . . 0.0 110.021 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.2 mt -58.49 -37.34 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.022 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -46.99 -45.8 21.24 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 120.477 1.489 . . . . 0.0 111.103 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.49 -48.34 23.05 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.418 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -58.91 -42.33 89.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.361 0.982 . . . . 0.0 110.053 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -42.77 -50.0 5.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.865 0.757 . . . . 0.0 111.679 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.48 -42.67 99.14 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.05 -37.34 79.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.539 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -49.23 -43.56 42.77 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.11 1.323 . . . . 0.0 109.474 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -63.65 -45.11 91.66 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.12 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -49.73 -59.58 3.68 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.298 1.408 . . . . 0.0 109.495 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.377 -1.297 . . . . 0.0 111.33 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.801 0 CA-C-N 120.929 1.695 . . . . 0.0 110.025 178.808 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.1 m . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -68.83 -49.12 61.09 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.274 0.943 . . . . 0.0 108.74 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.87 -48.91 85.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 m -57.88 -52.64 64.67 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.178 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.37 -50.21 68.03 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 118.785 0.72 . . . . 0.0 110.152 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.2 t -63.23 -40.85 98.64 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.289 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.6 mm -65.86 -45.02 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 119.481 1.037 . . . . 0.0 108.437 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.88 -47.37 60.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.529 -0.868 . . . . 0.0 108.748 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -52.79 -37.05 59.21 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.337 -0.839 . . . . 0.0 111.296 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -80.12 -41.53 25.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.887 0.767 . . . . 0.0 110.709 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.68 -40.22 68.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 117.44 -1.267 . . . . 0.0 110.409 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.278 0.0 OUTLIER -54.32 -16.73 2.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.121 1.782 . . . . 0.0 114.175 -174.038 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.57 -50.23 4.81 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.875 1.67 . . . . 0.0 109.708 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -55.17 -48.59 73.54 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.167 1.349 . . . . 0.0 109.909 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.86 -45.58 30.4 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.561 0.619 . . . . 0.0 109.854 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -59.28 -41.22 88.39 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.172 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.54 -39.23 84.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 117.451 -1.262 . . . . 0.0 109.172 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -44.83 -38.62 4.67 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.116 1.325 . . . . 0.0 110.112 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -73.44 -43.21 60.85 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.3 -1.333 . . . . 0.0 110.874 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp -53.78 -58.34 7.58 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 120.999 1.727 . . . . 0.0 107.751 175.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -29.67 66.0 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.664 1.12 . . . . 0.0 111.05 -173.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.838 0 CA-C-N 120.071 1.305 . . . . 0.0 109.21 174.354 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.86 -34.12 77.1 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.464 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.87 -52.07 65.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -58.02 -43.29 86.63 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.884 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.299 0.954 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -62.48 -42.01 99.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.131 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -55.77 -39.21 70.92 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.729 0.695 . . . . 0.0 110.469 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.8 mt -67.3 -46.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.2 -53.51 56.31 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.788 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -61.13 -41.31 96.49 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.388 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -50.21 -57.23 8.25 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.622 0.576 . . . . 0.0 109.87 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -65.2 -51.2 62.48 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.64 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.2 mt -51.17 -42.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 117.112 -1.423 . . . . 0.0 110.236 -168.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -42.28 -44.82 3.99 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.196 1.362 . . . . 0.0 111.478 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.57 -49.49 40.03 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.467 0.576 . . . . 0.0 110.759 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.49 -37.18 80.22 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.384 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.51 -35.32 79.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.586 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.76 -42.52 93.44 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.106 1.776 . . . . 0.0 108.125 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.4 t -63.41 -33.59 62.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.892 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -54.21 -49.17 70.01 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 120.487 1.494 . . . . 0.0 107.063 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -56.17 -38.79 71.38 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.602 -1.19 . . . . 0.0 110.058 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.72 -56.74 17.67 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.955 1.707 . . . . 0.0 110.187 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.84 -23.73 67.32 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.87 -172.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.75 0 CA-C-N 119.441 1.019 . . . . 0.0 109.103 178.097 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 m . . . . . 0 CA--C 1.511 -0.538 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.29 -46.57 88.2 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.836 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm -57.01 -46.88 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 t -57.66 -53.95 52.42 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.9 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.34 -52.89 57.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.469 1.031 . . . . 0.0 109.663 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -59.63 -36.46 76.4 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.039 -0.982 . . . . 0.0 111.58 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t -66.22 -38.91 89.06 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.905 1.23 . . . . 0.0 109.826 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.33 -45.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.53 81.74 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.601 -0.84 . . . . 0.0 108.916 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.4 mmt -59.39 -49.63 77.06 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.088 0.858 . . . . 0.0 109.675 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.55 -49.36 72.88 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.144 -177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -45.28 84.88 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.792 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.8 mt -58.25 -44.45 88.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 117.696 -1.145 . . . . 0.0 109.673 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -41.54 -50.05 4.02 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.099 1.318 . . . . 0.0 112.728 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -65.66 -50.21 65.81 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.675 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -51.63 -42.58 62.14 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -59.72 -49.62 77.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.724 0.693 . . . . 0.0 110.063 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.48 -44.29 96.09 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.373 -0.931 . . . . 0.0 110.282 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.84 -35.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.65 -0.691 . . . . 0.0 109.382 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.64 -33.79 70.46 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.564 1.075 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -60.41 -40.23 90.27 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 120.737 1.608 . . . . 0.0 108.586 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.96 -50.74 67.43 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.776 -1.106 . . . . 0.0 109.096 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.635 1.561 . . . . 0.0 109.441 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.539 176.639 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.13 -46.71 73.31 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.291 0.951 . . . . 0.0 108.764 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.33 -47.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 m -55.86 -51.77 66.39 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.387 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.96 -51.08 44.18 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.975 0.807 . . . . 0.0 110.53 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -58.33 -45.6 87.82 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.548 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -56.45 -38.53 71.78 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.965 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.13 -46.84 94.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 119.661 1.119 . . . . 0.0 108.229 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.1 -40.84 74.29 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.178 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 90.3 mmm -61.11 -40.27 93.11 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.373 0.988 . . . . 0.0 110.227 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.17 -46.54 62.1 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.339 0.972 . . . . 0.0 110.807 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -82.02 -40.08 22.6 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.39 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -59.75 -41.76 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -55.45 -52.22 64.34 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.518 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.8 -48.27 64.02 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.068 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -61.64 -43.7 98.37 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.553 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.41 -38.9 69.55 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.856 0.753 . . . . 0.0 110.646 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -51.06 71.57 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.95 -38.84 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -51.98 -40.83 61.53 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.247 1.385 . . . . 0.0 109.79 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -62.7 -41.35 99.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.2 -0.905 . . . . 0.0 109.506 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.24 -56.48 21.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.312 1.414 . . . . 0.0 109.939 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.69 -15.94 63.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.545 -1.217 . . . . 0.0 112.237 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.716 0 CA-C-N 120.552 1.524 . . . . 0.0 109.066 173.091 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.511 -0.522 0 CA-C-O 118.81 -0.614 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.39 -47.19 83.04 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.314 -0.851 . . . . 0.0 109.873 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.71 -55.96 16.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.6 m -50.39 -44.54 54.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.266 0.939 . . . . 0.0 110.74 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.72 -51.2 70.51 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.854 0.752 . . . . 0.0 109.794 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -63.2 -44.9 94.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -50.56 -46.57 57.69 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.846 0.748 . . . . 0.0 109.513 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.49 -48.17 89.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.22 3.83 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.641 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.45 -36.89 74.36 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.491 1.042 . . . . 0.0 110.2 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.45 -59.01 5.57 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.181 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.54 -46.86 66.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.626 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.04 -35.54 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.586 -1.674 . . . . 0.0 110.768 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -48.19 -50.32 29.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.058 1.754 . . . . 0.0 110.082 -175.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -62.69 -47.4 83.81 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.247 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -60.22 -36.59 78.05 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.117 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.93 -43.12 99.66 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.7 1.136 . . . . 0.0 109.632 -177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.82 -41.06 81.46 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.69 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.03 -34.64 71.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.907 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -49.88 -36.74 28.3 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.133 1.333 . . . . 0.0 111.047 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.25 -41.78 85.04 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.328 0.967 . . . . 0.0 110.21 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.82 -58.7 7.36 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.915 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.861 0 CA-C-N 120.324 1.42 . . . . 0.0 111.145 -179.613 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 CA--C 1.511 -0.553 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.86 156.88 0.1 Allowed 'General case' 0 C--N 1.356 0.882 0 O-C-N 123.74 0.65 . . . . 0.0 111.003 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.79 147.86 29.19 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.25 93.64 0.1 OUTLIER Glycine 0 C--N 1.354 1.557 0 CA-C-O 118.259 -1.301 . . . . 0.0 109.951 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 m -58.95 -45.16 91.14 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.269 1.535 . . . . 0.0 109.848 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.23 -43.52 95.98 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.23 0.923 . . . . 0.0 109.776 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.1 -49.29 85.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -57.11 -49.58 75.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 118.641 0.655 . . . . 0.0 110.135 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.82 -51.72 67.86 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.858 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -57.28 -41.61 80.08 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.562 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mm -65.12 -43.78 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.56 74.28 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.451 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 mmt -61.49 -43.18 99.33 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.583 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -53.44 -48.96 68.34 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.265 0.939 . . . . 0.0 111.178 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -75.14 -45.41 41.08 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.259 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.89 -33.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.579 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -53.49 -52.82 58.35 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 120.765 1.62 . . . . 0.0 110.636 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -72.45 -44.97 61.62 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.789 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -65.31 -31.9 73.28 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.457 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.08 -41.88 98.63 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 118.984 0.811 . . . . 0.0 109.944 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -58.13 -40.73 82.01 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 0.0 108.943 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.1 -35.92 73.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.711 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.63 -34.92 69.82 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.407 1.458 . . . . 0.0 109.262 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -55.12 -42.9 73.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.036 1.289 . . . . 0.0 108.964 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.76 -51.41 69.44 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.705 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.26 1.9 pp -55.94 -36.23 67.52 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.035 1.289 . . . . 0.0 110.869 -172.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.89 -49.77 72.5 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.488 1.04 . . . . 0.0 111.592 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -73.12 -62.65 1.39 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.163 0.892 . . . . 0.0 110.176 -174.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -59.22 -31.45 69.06 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.127 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.19 -44.79 97.04 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -62.18 -43.57 98.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.067 0.933 . . . . 0.0 108.921 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -52.6 -47.23 67.06 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.4 46.19 0.93 Allowed 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.947 0.779 . . . . 0.0 110.427 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -51.64 -42.84 62.36 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -153.11 60.41 0.78 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.615 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -110.79 37.53 2.76 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -174.72 140.28 0.58 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.763 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -159.05 56.78 0.42 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-N 120.499 1.5 . . . . 0.0 109.322 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.8 mt 54.15 81.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.6 m 65.34 74.1 0.39 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 -172.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? . . . . . 0 C--N 1.355 0.832 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.672 -173.812 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 CA--C 1.509 -0.612 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.8 54.21 11.43 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 123.773 0.671 . . . . 0.0 110.38 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -63.14 104.55 0.59 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.461 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.39 -164.9 32.8 Favored Glycine 0 C--N 1.354 1.554 0 CA-C-N 120.086 1.312 . . . . 0.0 110.236 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.3 m -112.9 -59.73 1.98 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.498 1.044 . . . . 0.0 108.599 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.95 -43.06 98.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -53.5 57.37 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.924 1.238 . . . . 0.0 109.481 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.36 -47.88 65.87 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.793 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.23 -44.49 95.1 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.12 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -54.31 -42.61 70.31 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.115 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.63 -46.02 80.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.87 16.27 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.662 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 119.106 0.866 . . . . 0.0 110.828 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.34 -52.01 63.56 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 118.772 0.714 . . . . 0.0 110.247 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -67.25 -41.88 84.84 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.258 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.56 -41.69 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.619 -1.182 . . . . 0.0 108.934 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -50.27 -52.78 33.46 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.957 1.253 . . . . 0.0 112.665 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.39 -49.95 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.945 1.248 . . . . 0.0 108.919 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -55.11 -36.68 65.97 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.843 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.63 -48.46 59.89 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.47 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.46 -45.05 76.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.045 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.18 -36.92 76.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.328 -0.844 . . . . 0.0 108.771 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.5 -30.38 66.99 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.322 1.419 . . . . 0.0 110.507 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -62.72 -36.82 84.21 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 121.512 1.96 . . . . 0.0 109.336 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.33 -48.41 81.46 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.938 1.244 . . . . 0.0 109.459 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.61 -30.21 70.54 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.59 1.541 . . . . 0.0 109.685 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.61 81.4 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.858 1.208 . . . . 0.0 109.239 174.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -60.91 -45.05 96.19 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.16 -33.14 73.95 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.883 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.48 -48.05 87.87 Favored Glycine 0 C--N 1.353 1.526 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.44 -49.69 75.44 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.454 1.127 . . . . 0.0 108.397 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -51.57 -45.6 63.14 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.481 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -98.75 58.03 1.16 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.18 -41.8 94.27 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -152.48 55.75 0.81 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -114.84 63.2 0.67 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.6 t60 58.49 83.05 0.13 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.655 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -93.02 82.99 4.63 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.1 mt 60.13 87.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.434 -0.794 . . . . 0.0 109.147 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 p 51.99 43.53 30.25 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.863 0.756 . . . . 0.0 109.224 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 C--N 1.356 0.855 0 O-C-N 123.678 0.611 . . . . 0.0 111.5 -179.67 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 119.05 -0.5 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.26 170.43 0.13 Allowed 'General case' 0 C--N 1.354 0.761 0 CA-C-O 119.409 -0.329 . . . . 0.0 111.749 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -72.11 148.63 45.54 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.05 104.26 0.17 Allowed Glycine 0 C--N 1.353 1.505 0 CA-C-O 117.127 -1.929 . . . . 0.0 109.212 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.5 m -57.52 -44.11 84.83 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.48 2.14 . . . . 0.0 109.778 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.73 -43.86 97.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.702 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.43 -48.78 85.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -54.81 -47.1 74.46 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 119.078 0.853 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -54.46 -50.98 66.44 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.441 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.97 -48.78 72.82 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.411 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.1 t -48.17 -41.24 26.41 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.251 0.478 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mm -66.19 -51.46 59.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.774 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.75 -60.07 3.71 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.257 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.69 67.89 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.012 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -67.36 -55.03 15.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.463 -1.256 . . . . 0.0 110.524 -176.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -57.46 -43.85 84.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.992 1.724 . . . . 0.0 109.305 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.88 -35.52 51.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 CA-C-O 117.008 -1.472 . . . . 0.0 111.835 -173.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.259 0.0 OUTLIER -53.96 -19.51 4.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 121.388 1.904 . . . . 0.0 115.62 -167.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.67 -52.36 5.18 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.11 1.777 . . . . 0.0 108.194 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -50.81 -37.71 44.22 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 118.536 0.607 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.82 -43.18 93.94 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.122 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.95 -40.94 86.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.407 1.458 . . . . 0.0 108.539 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.4 t -64.01 -30.39 49.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.259 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -52.84 -35.18 56.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.045 1.748 . . . . 0.0 108.25 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -66.6 -40.91 89.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.988 1.267 . . . . 0.0 111.095 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.33 -46.4 88.72 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.033 1.288 . . . . 0.0 107.772 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.86 -45.25 70.92 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.139 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.53 -37.71 73.51 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.623 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -60.82 -50.67 72.52 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -58.09 -22.81 52.23 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.854 -1.07 . . . . 0.0 111.638 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.24 -51.76 40.03 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 171.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -83.32 -64.64 1.13 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.18 68.24 0.5 Allowed 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 137.05 -64.95 0.0 OUTLIER 'General case' 0 C--N 1.356 0.875 0 N-CA-C 106.395 -1.705 . . . . 0.0 106.395 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.5 t0 59.75 60.33 2.24 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 81.5 t90 51.97 62.86 2.48 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -140.31 85.65 2.03 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 38' ' ' HIS . 32.9 t-80 40.26 49.83 2.54 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.645 0.657 . . . . 0.0 109.458 -176.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -74.94 78.57 2.16 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt 55.22 71.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 74.03 10.88 4.47 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.453 -0.785 . . . . 0.0 111.479 -177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 . . . . . 0 C--N 1.354 0.793 0 CA-C-N 119.676 1.125 . . . . 0.0 111.585 -177.274 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 CA--C 1.51 -0.592 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.11 64.58 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.3 85.27 7.33 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 171.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.26 175.21 4.41 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.797 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -60.97 -50.68 72.41 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.635 1.218 . . . . 0.0 108.396 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -48.9 -46.49 42.91 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.031 0.832 . . . . 0.0 110.437 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.28 -41.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -54.69 -48.66 72.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.718 1.144 . . . . 0.0 108.201 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -49.15 -46.33 45.05 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.257 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -67.0 -48.0 69.78 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.472 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -47.98 -38.02 15.95 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 118.624 0.647 . . . . 0.0 110.67 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mm -72.56 -49.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.97 -56.46 14.1 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.807 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ptm -55.67 -38.63 69.86 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.829 1.195 . . . . 0.0 111.436 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.88 -55.45 14.66 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.49 1.041 . . . . 0.0 109.304 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.36 -40.68 78.58 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.036 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.44 -39.51 82.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.149 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -43.88 -48.74 8.44 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.782 1.628 . . . . 0.0 110.761 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.34 -49.23 44.54 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.451 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -56.29 -39.22 72.33 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.861 0.755 . . . . 0.0 111.19 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -62.08 -42.35 99.12 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.171 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.35 -39.22 89.8 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.034 1.288 . . . . 0.0 109.346 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.18 -36.27 67.11 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.384 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.89 -36.43 72.39 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.334 1.425 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -64.06 -39.31 93.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.63 1.559 . . . . 0.0 110.01 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.58 -60.37 3.77 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.3 -31.99 72.66 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.937 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.9 -33.1 35.41 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.203 1.365 . . . . 0.0 110.433 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -60.69 -47.13 87.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.34 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -56.08 -25.69 46.5 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.891 1.223 . . . . 0.0 112.625 -170.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.94 -42.67 38.95 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -84.85 -51.68 6.58 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.746 172.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt 58.98 62.43 1.88 Allowed 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 53.01 62.9 2.46 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.882 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -111.8 65.58 0.63 Allowed 'General case' 0 C--N 1.352 0.687 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.439 ' NE1' ' ND2' ' A' ' 39' ' ' ASN . 77.1 t90 53.89 70.14 0.64 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.151 -177.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.39 26.0 4.13 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.277 0.944 . . . . 0.0 111.791 173.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -160.78 101.29 1.3 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.439 ' ND2' ' NE1' ' A' ' 36' ' ' TRP . 17.7 m120 -125.88 58.62 1.33 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -173.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.7 mt 70.51 115.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.824 0 O-C-N 125.116 1.51 . . . . 0.0 107.206 -176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 m 50.51 63.49 2.2 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 119.318 0.963 . . . . 0.0 108.866 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 . . . . . 0 C--N 1.354 0.776 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.631 178.566 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.74 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.448 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.17 -58.36 6.2 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 121.182 1.81 . . . . 0.0 107.245 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.2 71.05 0.62 Allowed Glycine 0 C--N 1.355 1.619 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m -50.6 -43.48 56.69 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.792 1.796 . . . . 0.0 109.997 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.89 -43.78 98.0 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.059 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.9 mt -57.16 -52.86 50.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 m -47.7 -47.71 29.67 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.542 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.5 -50.14 72.67 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.503 1.047 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -69.03 -54.55 14.57 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.6 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -49.94 -39.54 40.65 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.642 -0.695 . . . . 0.0 111.067 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.22 -50.62 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.34 64.08 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.2 mmt -61.48 -47.42 85.74 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.288 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -53.51 -38.97 64.23 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.691 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.77 -44.42 18.62 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.072 0.851 . . . . 0.0 110.1 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.0 mt -57.44 -32.96 42.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.551 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -21.41 4.17 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.334 1.879 . . . . 0.0 114.423 -175.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -91.78 -48.85 6.57 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.838 1.654 . . . . 0.0 108.841 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -52.11 -46.19 65.18 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.29 0.95 . . . . 0.0 109.741 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.97 -47.37 80.9 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.012 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.63 -43.01 84.53 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.945 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.1 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.152 -0.927 . . . . 0.0 109.839 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -54.53 -37.75 65.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.53 1.514 . . . . 0.0 109.02 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.95 -48.38 80.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.804 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -53.91 -54.39 39.42 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.487 1.039 . . . . 0.0 110.383 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.97 -26.69 60.31 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.396 -1.288 . . . . 0.0 112.058 -170.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.45 89.55 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.624 1.556 . . . . 0.0 110.938 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.15 -42.24 69.4 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.463 -0.779 . . . . 0.0 109.712 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -32.77 74.51 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.72 -44.63 62.19 Favored Glycine 0 C--N 1.355 1.585 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -56.55 20.38 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -43.61 -49.15 7.68 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -86.49 49.38 1.79 Allowed 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.668 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.67 -56.1 5.17 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -147.2 58.3 1.15 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -121.06 49.09 1.53 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 160.41 65.19 0.0 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.898 1.374 . . . . 0.0 107.853 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -160.98 84.91 0.67 Allowed 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -172.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.6 mt 60.6 77.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 m 63.28 72.68 0.47 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 C--N 1.355 0.813 0 CA-C-O 121.253 0.549 . . . . 0.0 109.907 175.803 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.63 -101.54 0.05 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.014 -1.469 . . . . 0.0 110.073 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -79.22 105.56 10.63 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 121.221 1.828 . . . . 0.0 106.301 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.74 73.85 2.51 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 m -144.26 -63.75 0.37 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.263 1.031 . . . . 0.0 109.023 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.31 1.414 . . . . 0.0 108.079 172.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.04 -50.85 77.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t -52.19 -49.0 64.72 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.904 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.28 -51.16 60.13 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.705 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -59.57 -43.92 93.45 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.618 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 t -56.92 -41.9 79.01 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.351 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.67 -47.35 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.28 8.42 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.221 -0.991 . . . . 0.0 110.012 -175.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -35.51 76.46 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.744 -177.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.18 -57.92 8.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -49.68 -42.19 44.9 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 118.708 0.685 . . . . 0.0 110.979 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.51 -33.43 59.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.232 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.264 0.0 OUTLIER -50.22 -21.47 1.36 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.719 2.054 . . . . 0.0 115.266 -171.345 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -88.19 -48.08 7.97 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.117 1.78 . . . . 0.0 108.311 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -49.3 -45.88 45.79 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 118.964 0.802 . . . . 0.0 109.73 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -55.7 -48.18 75.56 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.951 0.796 . . . . 0.0 110.52 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.93 -44.68 87.03 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.435 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.81 -34.51 66.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-O 118.13 -0.938 . . . . 0.0 108.735 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -53.31 -35.93 60.7 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.932 1.242 . . . . 0.0 109.646 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -62.49 -50.25 72.13 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.811 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.82 -53.83 46.93 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.695 1.134 . . . . 0.0 110.732 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -59.62 -33.23 71.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.382 -0.818 . . . . 0.0 110.95 -168.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.02 -50.42 73.48 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.888 0.767 . . . . 0.0 109.874 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -70.43 -29.23 65.77 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.485 -1.245 . . . . 0.0 110.06 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -49.05 79.18 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.16 -49.53 67.3 Favored Glycine 0 C--N 1.353 1.512 0 C-N-CA 119.753 -1.213 . . . . 0.0 110.997 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -56.63 -36.14 69.13 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 117.687 0.744 . . . . 0.0 109.912 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt 52.4 43.43 30.91 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 38.46 46.37 0.94 Allowed 'General case' 0 C--N 1.352 0.681 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.82 -49.01 78.08 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -144.03 39.28 1.34 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-O 119.142 -0.456 . . . . 0.0 110.07 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -93.21 72.03 4.55 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 47.55 47.8 17.27 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.33 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -89.45 60.16 5.08 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.4 mt 54.4 46.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -175.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -159.8 39.75 0.19 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 118.884 -0.579 . . . . 0.0 112.561 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? . . . . . 0 C--N 1.355 0.831 0 CA-C-N 119.378 0.99 . . . . 0.0 109.513 -177.25 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 CA--C 1.508 -0.655 0 CA-C-O 118.839 -0.6 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.74 160.72 31.11 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.08 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.25 -47.37 86.35 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.92 72.66 0.25 Allowed Glycine 0 C--N 1.355 1.587 0 C-N-CA 119.948 -1.12 . . . . 0.0 111.945 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.2 m -140.01 -64.23 0.48 Allowed 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.46 -48.57 74.78 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -48.68 87.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 m -59.89 -50.85 72.17 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.145 0.884 . . . . 0.0 109.95 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.93 -50.96 60.13 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.44 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.53 -46.54 86.58 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.111 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 t -58.91 -37.14 75.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.038 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.2 mm -65.84 -47.49 85.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.42 -42.43 67.04 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.307 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.2 mmt -66.52 -42.18 87.69 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.27 -50.69 61.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.479 1.036 . . . . 0.0 109.403 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.99 -47.35 45.95 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.5 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.03 -27.92 37.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.294 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -50.36 -50.24 51.89 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.653 1.569 . . . . 0.0 111.223 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.65 -48.61 25.3 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.209 0.913 . . . . 0.0 109.849 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -54.73 -38.98 67.78 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.043 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.35 -45.68 84.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.158 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.28 -43.83 75.11 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.142 1.337 . . . . 0.0 108.774 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.59 -29.84 48.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-O 117.748 -1.12 . . . . 0.0 110.128 -178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.24 -38.51 71.19 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.724 1.602 . . . . 0.0 108.761 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -57.73 -47.84 81.31 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.886 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.69 -48.89 79.56 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.632 -0.827 . . . . 0.0 108.802 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -57.72 -39.81 78.12 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.317 -173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.02 -48.77 67.36 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.196 -175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -60.41 -62.34 1.94 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.506 -1.235 . . . . 0.0 108.273 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -49.38 -32.12 10.85 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.737 1.608 . . . . 0.0 111.624 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 -51.55 57.18 Favored Glycine 0 C--N 1.353 1.5 0 C-N-CA 119.553 -1.308 . . . . 0.0 110.122 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -70.38 -58.52 3.64 Favored 'General case' 0 C--N 1.355 0.804 0 N-CA-C 107.886 -1.154 . . . . 0.0 107.886 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm 75.93 62.08 0.05 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m120 50.37 48.58 22.13 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.562 0.539 . . . . 0.0 110.824 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -95.89 61.75 2.2 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 36.1 t90 49.28 54.09 11.55 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 119.162 -0.447 . . . . 0.0 110.545 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.65 59.84 1.6 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 174.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.6 t60 166.65 117.55 0.01 OUTLIER 'General case' 0 C--N 1.353 0.761 0 CA-C-O 116.424 -1.75 . . . . 0.0 106.839 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -141.44 61.13 1.48 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.843 1.656 . . . . 0.0 110.292 -174.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt 58.45 83.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t 41.57 49.54 3.66 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.508 0.595 . . . . 0.0 109.539 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 C--N 1.353 0.744 0 O-C-N 123.915 0.759 . . . . 0.0 111.115 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.66 -105.35 0.06 Allowed 'General case' 0 C--N 1.356 0.875 0 CA-C-O 116.98 -1.486 . . . . 0.0 110.951 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -84.79 87.47 7.32 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 104.635 -2.357 . . . . 0.0 104.635 172.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.8 68.06 3.62 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 108.762 -1.735 . . . . 0.0 108.762 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.2 m -135.16 -64.49 0.65 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -63.86 -45.25 90.29 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.339 1.427 . . . . 0.0 108.171 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.47 -45.77 93.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.0 m -60.47 -51.54 69.03 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.961 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.464 0.574 . . . . 0.0 110.429 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.33 -47.46 81.49 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.094 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -62.31 -39.48 93.16 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.789 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -60.79 -46.71 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.64 -53.87 45.75 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.46 -35.11 73.45 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.47 -60.15 4.27 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.764 1.165 . . . . 0.0 109.761 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -64.43 -33.32 75.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.434 1.015 . . . . 0.0 112.091 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.17 -34.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-O 117.599 -1.191 . . . . 0.0 110.627 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -25.73 1.67 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -171.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -85.84 -48.93 8.31 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.614 1.552 . . . . 0.0 108.834 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.47 -44.82 76.83 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.782 0.719 . . . . 0.0 109.971 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.68 -46.88 80.9 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.872 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.96 -46.08 90.56 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.251 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.43 -29.9 43.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.431 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -53.02 -38.26 62.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.747 1.612 . . . . 0.0 109.613 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.13 -42.59 96.75 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 120.73 1.604 . . . . 0.0 109.753 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.04 -53.78 52.79 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 109.125 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.99 -32.73 74.59 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.852 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 -34.92 64.92 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.065 1.302 . . . . 0.0 110.956 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -51.94 -35.97 47.7 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.232 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -44.55 -31.37 1.1 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-O 118.178 -0.915 . . . . 0.0 113.322 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.06 -63.18 4.96 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 119.65 1.114 . . . . 0.0 111.034 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -80.09 -59.65 2.64 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.62 42.86 31.66 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.659 0.6 . . . . 0.0 109.702 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ASP . 54.3 m-80 -161.97 -59.58 0.05 OUTLIER 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.46 -1.257 . . . . 0.0 110.671 176.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' ASN . 5.8 m-20 -28.17 -45.64 0.03 OUTLIER 'General case' 0 C--N 1.358 0.942 0 CA-C-N 118.832 0.742 . . . . 0.0 112.513 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.2 t90 -149.59 67.09 1.0 Allowed 'General case' 0 C--N 1.353 0.721 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -153.72 69.58 0.8 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 61.98 70.25 0.59 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.398 0.436 . . . . 0.0 111.33 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -79.19 79.94 5.57 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 118.867 -0.587 . . . . 0.0 109.668 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 mt 56.49 55.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 171.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m 52.87 50.37 18.17 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 . . . . . 0 C--N 1.354 0.782 0 CA-C-O 121.195 0.521 . . . . 0.0 110.707 179.132 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.2 t80 . . . . . 0 CA--C 1.512 -0.506 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.58 115.13 2.35 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.643 -1.17 . . . . 0.0 108.256 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -94.98 -126.55 0.12 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-O 115.987 -1.958 . . . . 0.0 105.846 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.82 85.82 1.45 Allowed Glycine 0 C--N 1.354 1.582 0 CA-C-N 122.619 2.463 . . . . 0.0 107.66 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.5 m -134.52 -70.93 0.5 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.77 1.285 . . . . 0.0 109.155 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -67.45 -45.09 77.03 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 107.627 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.94 -49.19 84.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -54.03 -51.48 63.89 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.168 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -52.51 -52.79 52.91 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.284 0.947 . . . . 0.0 110.267 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -62.19 -37.84 86.82 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.6 t -66.9 -39.94 87.59 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.32 0.964 . . . . 0.0 110.006 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.63 -46.09 93.47 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -49.47 71.45 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.069 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.92 -46.89 84.3 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.805 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -49.99 73.75 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.85 -175.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.93 -55.88 16.56 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -48.31 -37.7 7.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.633 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -39.84 -50.16 2.41 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 119.624 1.102 . . . . 0.0 112.592 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.65 -45.12 65.74 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.051 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -51.91 -44.57 63.89 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.858 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.12 -49.26 78.54 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.428 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.34 -47.13 84.75 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.145 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.5 -33.09 50.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.269 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.58 -29.55 68.03 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.524 1.511 . . . . 0.0 110.297 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.51 -40.39 78.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.534 1.515 . . . . 0.0 108.876 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.1 -52.07 66.45 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.979 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.6 -27.28 69.13 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.931 1.241 . . . . 0.0 110.656 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.96 46.3 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.308 1.413 . . . . 0.0 110.918 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -78.34 -26.33 46.74 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.176 -1.868 . . . . 0.0 112.34 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -49.37 -34.98 17.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 122.506 2.412 . . . . 0.0 112.135 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.69 56.91 Favored Glycine 0 C--N 1.353 1.525 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.107 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -73.3 -66.16 0.72 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm 48.89 50.84 17.03 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -169.67 -55.35 0.02 OUTLIER 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.123 -0.941 . . . . 0.0 111.795 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -40.17 -48.36 2.53 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 119.294 0.952 . . . . 0.0 110.768 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -150.76 60.97 0.93 Allowed 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -131.07 69.09 1.47 Allowed 'General case' 0 C--N 1.354 0.767 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 54.55 31.95 15.97 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.619 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -80.7 70.43 7.45 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt 52.4 55.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t -155.49 48.35 0.52 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--N 1.355 0.844 0 CA-C-O 121.714 0.769 . . . . 0.0 109.849 -175.246 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 p90 . . . . . 0 CA--C 1.512 -0.509 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.16 55.37 9.61 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.792 0.724 . . . . 0.0 110.104 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.96 145.36 55.99 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.89 -145.18 10.15 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.723 -1.598 . . . . 0.0 110.93 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m -142.95 -65.81 0.39 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.086 1.443 . . . . 0.0 109.622 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -68.21 -48.51 65.0 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.814 1.188 . . . . 0.0 108.494 176.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.22 -48.47 83.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -56.12 -54.65 42.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.455 1.025 . . . . 0.0 110.396 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.01 -52.39 58.57 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.662 0.665 . . . . 0.0 110.114 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.73 -35.66 80.49 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.819 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -62.51 -39.03 92.21 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.515 1.052 . . . . 0.0 110.137 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -69.5 -47.6 71.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.12 71.65 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.392 -0.814 . . . . 0.0 109.401 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 mmt -61.46 -47.01 87.64 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.089 0.859 . . . . 0.0 109.65 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.12 -48.06 71.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.148 0.886 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -68.96 -46.79 67.24 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.029 -0.669 . . . . 0.0 110.021 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.2 mt -58.49 -37.34 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.022 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -46.99 -45.8 21.24 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 120.477 1.489 . . . . 0.0 111.103 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.49 -48.34 23.05 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.418 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -58.91 -42.33 89.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.361 0.982 . . . . 0.0 110.053 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -42.77 -50.0 5.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.865 0.757 . . . . 0.0 111.679 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.48 -42.67 99.14 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.05 -37.34 79.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.539 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -49.23 -43.56 42.77 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.11 1.323 . . . . 0.0 109.474 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -63.65 -45.11 91.66 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.12 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -49.73 -59.58 3.68 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.298 1.408 . . . . 0.0 109.495 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.377 -1.297 . . . . 0.0 111.33 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.32 -35.55 70.01 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.929 1.695 . . . . 0.0 110.025 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -56.26 -34.0 65.98 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.615 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -25.66 53.3 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.2 1.364 . . . . 0.0 112.207 -174.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.76 48.56 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -80.84 -53.0 6.87 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt 56.81 57.23 4.84 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 48.22 36.63 7.01 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.2 -43.28 87.22 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 170.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -152.79 65.2 0.79 Allowed 'General case' 0 C--N 1.357 0.909 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 38' ' ' HIS . 26.1 tptp -147.51 80.59 1.51 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-O 118.625 -0.703 . . . . 0.0 109.233 -174.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 37' ' ' LYS 0.263 6.6 m-70 115.56 67.88 0.0 OUTLIER 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.681 1.238 . . . . 0.0 108.578 178.23 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -75.41 84.33 2.52 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.1 mt 58.25 70.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m 54.44 38.63 29.98 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.888 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 . . . . . 0 C--N 1.353 0.746 0 CA-C-O 122.13 0.967 . . . . 0.0 111.267 175.466 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 CA--C 1.513 -0.448 0 CA-C-O 118.201 -0.904 . . . . 0.0 108.798 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.68 163.32 0.18 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.401 0.546 . . . . 0.0 111.627 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -99.58 150.48 22.2 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.51 -136.64 2.99 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 117.78 -1.567 . . . . 0.0 111.803 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.1 m -148.04 -65.87 0.25 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.136 1.468 . . . . 0.0 108.814 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -68.83 -49.12 61.09 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.274 0.943 . . . . 0.0 108.74 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.87 -48.91 85.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 m -57.88 -52.64 64.67 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.178 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.37 -50.21 68.03 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 118.785 0.72 . . . . 0.0 110.152 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.2 t -63.23 -40.85 98.64 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.289 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.6 mm -65.86 -45.02 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 119.481 1.037 . . . . 0.0 108.437 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.88 -47.37 60.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.529 -0.868 . . . . 0.0 108.748 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -52.79 -37.05 59.21 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.337 -0.839 . . . . 0.0 111.296 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -80.12 -41.53 25.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.887 0.767 . . . . 0.0 110.709 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.68 -40.22 68.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 117.44 -1.267 . . . . 0.0 110.409 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.278 0.0 OUTLIER -54.32 -16.73 2.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.121 1.782 . . . . 0.0 114.175 -174.038 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.57 -50.23 4.81 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.875 1.67 . . . . 0.0 109.708 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -55.17 -48.59 73.54 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.167 1.349 . . . . 0.0 109.909 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.86 -45.58 30.4 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.561 0.619 . . . . 0.0 109.854 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -59.28 -41.22 88.39 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.172 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.54 -39.23 84.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 117.451 -1.262 . . . . 0.0 109.172 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -44.83 -38.62 4.67 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.116 1.325 . . . . 0.0 110.112 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -73.44 -43.21 60.85 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.3 -1.333 . . . . 0.0 110.874 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp -53.78 -58.34 7.58 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 120.999 1.727 . . . . 0.0 107.751 175.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -29.67 66.0 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.664 1.12 . . . . 0.0 111.05 -173.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.67 97.13 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.071 1.305 . . . . 0.0 109.21 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -61.49 -45.95 92.07 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.42 -40.69 71.8 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.061 -0.971 . . . . 0.0 108.652 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.32 -55.63 18.55 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -51.29 -44.96 62.0 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 117.977 0.889 . . . . 0.0 109.639 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tttp 55.37 49.57 16.68 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 43.04 58.95 3.09 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 119.161 -0.447 . . . . 0.0 110.643 -175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -55.93 -57.43 12.11 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -166.84 63.48 0.09 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.46 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 38' ' ' HIS 0.283 0.0 OUTLIER -124.75 36.0 4.69 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 120.414 -0.514 . . . . 0.0 109.87 169.911 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 19.3 m80 -163.55 151.11 12.79 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.79 172.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -172.69 66.99 0.03 OUTLIER 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.819 0.736 . . . . 0.0 109.073 -172.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mt 59.89 77.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.765 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.5 m 57.96 55.16 5.48 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 . . . . . 0 C--N 1.356 0.866 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.434 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.3 p90 . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.31 -79.44 0.01 OUTLIER 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.705 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -71.77 139.35 48.98 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.716 1.598 . . . . 0.0 108.08 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.43 145.93 5.04 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 117.61 -1.661 . . . . 0.0 109.095 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.9 m -70.64 -53.05 17.33 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 120.075 1.938 . . . . 0.0 107.914 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.86 -34.12 77.1 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.464 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.87 -52.07 65.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -58.02 -43.29 86.63 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.884 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.299 0.954 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -62.48 -42.01 99.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.131 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -55.77 -39.21 70.92 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.729 0.695 . . . . 0.0 110.469 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.8 mt -67.3 -46.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.2 -53.51 56.31 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.788 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -61.13 -41.31 96.49 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.388 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -50.21 -57.23 8.25 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.622 0.576 . . . . 0.0 109.87 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -65.2 -51.2 62.48 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.64 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.2 mt -51.17 -42.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 117.112 -1.423 . . . . 0.0 110.236 -168.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -42.28 -44.82 3.99 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.196 1.362 . . . . 0.0 111.478 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.57 -49.49 40.03 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.467 0.576 . . . . 0.0 110.759 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.49 -37.18 80.22 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.384 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.51 -35.32 79.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.586 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.76 -42.52 93.44 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.106 1.776 . . . . 0.0 108.125 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.4 t -63.41 -33.59 62.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.892 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -54.21 -49.17 70.01 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 120.487 1.494 . . . . 0.0 107.063 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -56.17 -38.79 71.38 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.602 -1.19 . . . . 0.0 110.058 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.72 -56.74 17.67 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.955 1.707 . . . . 0.0 110.187 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.84 -23.73 67.32 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.87 -172.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.78 -45.84 63.95 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.441 1.019 . . . . 0.0 109.103 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -69.17 -42.35 76.01 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.13 -1.414 . . . . 0.0 110.442 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -57.94 -35.68 71.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.346 1.884 . . . . 0.0 110.029 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.63 -41.27 84.52 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-O 118.529 -1.151 . . . . 0.0 110.4 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.34 -53.7 48.51 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.125 1.462 . . . . 0.0 107.649 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -50.77 -43.49 58.5 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -96.69 53.29 1.24 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -58.53 -47.15 85.15 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -156.69 71.01 0.67 Allowed 'General case' 0 C--N 1.353 0.75 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -144.88 80.21 1.62 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.657 -175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.1 m170 52.28 59.73 4.31 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.478 167.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -156.08 67.5 0.6 Allowed 'General case' 0 C--N 1.351 0.658 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.654 -178.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 35.6 mt 63.56 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.315 0.5 OUTLIER 57.64 24.57 10.67 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 . . . . . 0 C--N 1.355 0.821 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.031 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.16 -176.31 0.05 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.903 -0.57 . . . . 0.0 110.487 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.38 143.03 54.09 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 170.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.17 -39.22 1.76 Allowed Glycine 0 C--N 1.353 1.476 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 m -59.35 -49.21 78.69 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.846 1.323 . . . . 0.0 108.661 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.29 -46.57 88.2 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.836 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm -57.01 -46.88 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 t -57.66 -53.95 52.42 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.9 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.34 -52.89 57.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.469 1.031 . . . . 0.0 109.663 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -59.63 -36.46 76.4 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.039 -0.982 . . . . 0.0 111.58 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t -66.22 -38.91 89.06 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.905 1.23 . . . . 0.0 109.826 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.33 -45.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.53 81.74 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.601 -0.84 . . . . 0.0 108.916 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.4 mmt -59.39 -49.63 77.06 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.088 0.858 . . . . 0.0 109.675 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.55 -49.36 72.88 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.144 -177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -45.28 84.88 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.792 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.8 mt -58.25 -44.45 88.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 117.696 -1.145 . . . . 0.0 109.673 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -41.54 -50.05 4.02 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.099 1.318 . . . . 0.0 112.728 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -65.66 -50.21 65.81 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.675 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -51.63 -42.58 62.14 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -59.72 -49.62 77.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.724 0.693 . . . . 0.0 110.063 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.48 -44.29 96.09 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.373 -0.931 . . . . 0.0 110.282 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.84 -35.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.65 -0.691 . . . . 0.0 109.382 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.64 -33.79 70.46 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.564 1.075 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -60.41 -40.23 90.27 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 120.737 1.608 . . . . 0.0 108.586 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.96 -50.74 67.43 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.776 -1.106 . . . . 0.0 109.096 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.635 1.561 . . . . 0.0 109.441 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.0 95.18 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.539 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -57.44 -59.53 5.01 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.152 -0.927 . . . . 0.0 109.259 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -24.64 66.29 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.92 1.236 . . . . 0.0 110.614 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.51 -53.06 40.88 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 172.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.73 -70.21 0.47 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.263 1.031 . . . . 0.0 108.244 175.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? 81.35 -44.03 0.19 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.062 -0.97 . . . . 0.0 113.449 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -161.87 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.334 1.424 . . . . 0.0 113.721 -171.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -45.61 -41.83 10.54 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 120.973 1.715 . . . . 0.0 109.909 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.537 ' HE1' HD22 ' A' ' 39' ' ' ASN . 51.8 t90 -149.03 59.81 1.05 Allowed 'General case' 0 C--N 1.355 0.842 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.069 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -113.38 50.07 0.92 Allowed 'General case' 0 C--N 1.356 0.848 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 170.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -176.54 143.78 0.49 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.539 -1.22 . . . . 0.0 110.284 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.537 HD22 ' HE1' ' A' ' 36' ' ' TRP . 14.2 m120 -148.99 53.68 0.98 Allowed 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt 56.06 72.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.257 0.6 OUTLIER 100.75 -52.35 0.0 OUTLIER 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -177.614 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 CA--C 1.502 -0.9 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -172.4 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.8 50.85 17.78 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.237 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -57.36 -53.38 58.75 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.393 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -25.06 85.52 0.0 OUTLIER Glycine 0 C--N 1.355 1.586 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 -172.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.2 m -152.95 -66.63 0.16 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.13 -46.71 73.31 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.291 0.951 . . . . 0.0 108.764 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.33 -47.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 m -55.86 -51.77 66.39 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.387 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.96 -51.08 44.18 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.975 0.807 . . . . 0.0 110.53 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -58.33 -45.6 87.82 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.548 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -56.45 -38.53 71.78 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.965 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.13 -46.84 94.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 119.661 1.119 . . . . 0.0 108.229 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.1 -40.84 74.29 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.178 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 90.3 mmm -61.11 -40.27 93.11 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.373 0.988 . . . . 0.0 110.227 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.17 -46.54 62.1 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.339 0.972 . . . . 0.0 110.807 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -82.02 -40.08 22.6 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.39 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -59.75 -41.76 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -55.45 -52.22 64.34 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.518 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.8 -48.27 64.02 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.068 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -61.64 -43.7 98.37 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.553 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.41 -38.9 69.55 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.856 0.753 . . . . 0.0 110.646 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -51.06 71.57 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.95 -38.84 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -51.98 -40.83 61.53 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.247 1.385 . . . . 0.0 109.79 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -62.7 -41.35 99.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.2 -0.905 . . . . 0.0 109.506 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.24 -56.48 21.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.312 1.414 . . . . 0.0 109.939 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.69 -15.94 63.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.545 -1.217 . . . . 0.0 112.237 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.49 62.75 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.552 1.524 . . . . 0.0 109.066 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -69.74 87.76 0.52 Allowed 'General case' 0 C--N 1.356 0.866 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HZ2' ' HB2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER 162.1 -39.1 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.191 176.335 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.98 39.13 0.56 Allowed Glycine 0 C--N 1.357 1.736 0 CA-C-O 117.872 -1.516 . . . . 0.0 113.201 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -78.49 -55.73 4.98 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 173.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -18.41 19.63 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 116.699 -1.62 . . . . 0.0 111.765 177.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.84 50.42 1.08 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-N 120.747 1.612 . . . . 0.0 106.778 172.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -84.34 -50.25 7.99 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -145.09 49.84 1.26 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -127.7 44.57 2.9 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -174.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -172.98 72.59 0.03 OUTLIER 'General case' 0 C--N 1.353 0.735 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -149.24 79.42 1.4 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.836 -171.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 35.9 mt 55.47 75.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.9 m 62.38 67.18 0.74 Allowed 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 . . . . . 0 C--N 1.357 0.913 0 CA-C-O 121.707 0.765 . . . . 0.0 112.871 174.561 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.1 p90 . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 117.155 -1.402 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.67 66.58 0.79 Allowed 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.568 1.077 . . . . 0.0 109.597 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -44.17 -58.78 2.67 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.124 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.43 91.03 0.01 OUTLIER Glycine 0 C--N 1.356 1.649 0 CA-C-O 117.476 -1.735 . . . . 0.0 110.562 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -45.0 -42.64 8.47 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.85 2.325 . . . . 0.0 111.209 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.39 -47.19 83.04 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.314 -0.851 . . . . 0.0 109.873 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.71 -55.96 16.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.6 m -50.39 -44.54 54.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.266 0.939 . . . . 0.0 110.74 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.72 -51.2 70.51 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.854 0.752 . . . . 0.0 109.794 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -63.2 -44.9 94.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -50.56 -46.57 57.69 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.846 0.748 . . . . 0.0 109.513 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.49 -48.17 89.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.22 3.83 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.641 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.45 -36.89 74.36 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.491 1.042 . . . . 0.0 110.2 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.45 -59.01 5.57 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.181 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.54 -46.86 66.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.626 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.04 -35.54 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.586 -1.674 . . . . 0.0 110.768 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -48.19 -50.32 29.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.058 1.754 . . . . 0.0 110.082 -175.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -62.69 -47.4 83.81 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.247 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -60.22 -36.59 78.05 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.117 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.93 -43.12 99.66 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.7 1.136 . . . . 0.0 109.632 -177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.82 -41.06 81.46 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.69 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.03 -34.64 71.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.907 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -49.88 -36.74 28.3 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.133 1.333 . . . . 0.0 111.047 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.25 -41.78 85.04 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.328 0.967 . . . . 0.0 110.21 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.82 -58.7 7.36 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.915 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.99 -35.58 59.36 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.324 1.42 . . . . 0.0 111.145 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -51.29 -34.65 34.06 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.142 0.883 . . . . 0.0 111.009 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -54.32 -25.05 21.7 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.541 1.064 . . . . 0.0 112.965 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.17 -64.32 4.38 Favored Glycine 0 C--N 1.356 1.647 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.92 -60.14 2.45 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 tttt 60.2 48.73 7.93 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -170.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 35' ' ' ASP . 26.5 m120 -159.5 -58.2 0.06 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-O 116.728 -1.606 . . . . 0.0 112.477 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' ASN . 10.3 t70 -30.54 -47.69 0.09 Allowed 'General case' 0 C--N 1.359 0.992 0 CA-C-N 119.747 1.158 . . . . 0.0 111.84 -172.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -153.04 60.52 0.78 Allowed 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 173.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -134.57 73.43 1.49 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 m170 53.89 51.45 14.78 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.379 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -106.04 50.59 0.77 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 mt 51.91 45.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 m -155.77 63.94 0.59 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 . . . . . 0 C--N 1.355 0.827 0 CA-C-N 119.598 1.09 . . . . 0.0 110.719 -177.56 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.23 -43.52 95.98 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.23 0.923 . . . . 0.0 109.776 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.1 -49.29 85.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -57.11 -49.58 75.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 118.641 0.655 . . . . 0.0 110.135 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.82 -51.72 67.86 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.858 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -57.28 -41.61 80.08 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.562 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mm -65.12 -43.78 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.56 74.28 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.451 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 mmt -61.49 -43.18 99.33 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.583 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -53.44 -48.96 68.34 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.265 0.939 . . . . 0.0 111.178 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -75.14 -45.41 41.08 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.259 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.89 -33.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.579 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -53.49 -52.82 58.35 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 120.765 1.62 . . . . 0.0 110.636 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -72.45 -44.97 61.62 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.789 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -65.31 -31.9 73.28 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.457 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.08 -41.88 98.63 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 118.984 0.811 . . . . 0.0 109.944 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -58.13 -40.73 82.01 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 0.0 108.943 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.1 -35.92 73.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.711 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.63 -34.92 69.82 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.407 1.458 . . . . 0.0 109.262 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -55.12 -42.9 73.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.036 1.289 . . . . 0.0 108.964 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.76 -51.41 69.44 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.705 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.26 1.9 pp -55.94 -36.23 67.52 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.035 1.289 . . . . 0.0 110.869 -172.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.621 0 CA-C-N 119.488 1.04 . . . . 0.0 111.592 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.3 m . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.498 1.044 . . . . 0.0 108.599 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.95 -43.06 98.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -53.5 57.37 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.924 1.238 . . . . 0.0 109.481 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.36 -47.88 65.87 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.793 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.23 -44.49 95.1 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.12 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -54.31 -42.61 70.31 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.115 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.63 -46.02 80.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.87 16.27 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.662 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 119.106 0.866 . . . . 0.0 110.828 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.34 -52.01 63.56 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 118.772 0.714 . . . . 0.0 110.247 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -67.25 -41.88 84.84 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.258 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.56 -41.69 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.619 -1.182 . . . . 0.0 108.934 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -50.27 -52.78 33.46 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.957 1.253 . . . . 0.0 112.665 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.39 -49.95 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.945 1.248 . . . . 0.0 108.919 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -55.11 -36.68 65.97 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.843 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.63 -48.46 59.89 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.47 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.46 -45.05 76.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.045 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.18 -36.92 76.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.328 -0.844 . . . . 0.0 108.771 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.5 -30.38 66.99 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.322 1.419 . . . . 0.0 110.507 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -62.72 -36.82 84.21 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 121.512 1.96 . . . . 0.0 109.336 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.33 -48.41 81.46 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.938 1.244 . . . . 0.0 109.459 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.61 -30.21 70.54 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.59 1.541 . . . . 0.0 109.685 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.867 0 CA-C-N 119.858 1.208 . . . . 0.0 109.239 174.328 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.5 m . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.73 -43.86 97.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.702 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.43 -48.78 85.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -54.81 -47.1 74.46 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 119.078 0.853 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -54.46 -50.98 66.44 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.441 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.97 -48.78 72.82 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.411 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.1 t -48.17 -41.24 26.41 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.251 0.478 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mm -66.19 -51.46 59.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.774 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.75 -60.07 3.71 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.257 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.69 67.89 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.012 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.4 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 31.2 t70 -67.36 -55.03 15.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.463 -1.256 . . . . 0.0 110.524 -176.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -57.46 -43.85 84.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.992 1.724 . . . . 0.0 109.305 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.88 -35.52 51.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 CA-C-O 117.008 -1.472 . . . . 0.0 111.835 -173.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 15' ' ' ASP 0.259 0.6 OUTLIER -53.96 -19.51 4.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 121.388 1.904 . . . . 0.0 115.62 -167.847 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.67 -52.36 5.18 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.11 1.777 . . . . 0.0 108.194 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -50.81 -37.71 44.22 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 118.536 0.607 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.82 -43.18 93.94 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.122 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.95 -40.94 86.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.407 1.458 . . . . 0.0 108.539 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.4 t -64.01 -30.39 49.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.259 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -52.84 -35.18 56.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.045 1.748 . . . . 0.0 108.25 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -66.6 -40.91 89.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.988 1.267 . . . . 0.0 111.095 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.33 -46.4 88.72 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.033 1.288 . . . . 0.0 107.772 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.86 -45.25 70.92 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.139 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.738 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.623 -176.212 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 CA--C 1.51 -0.587 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -48.9 -46.49 42.91 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.031 0.832 . . . . 0.0 110.437 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.28 -41.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -54.69 -48.66 72.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.718 1.144 . . . . 0.0 108.201 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -49.15 -46.33 45.05 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.257 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -67.0 -48.0 69.78 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.472 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -47.98 -38.02 15.95 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 118.624 0.647 . . . . 0.0 110.67 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mm -72.56 -49.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.97 -56.46 14.1 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.807 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ptm -55.67 -38.63 69.86 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.829 1.195 . . . . 0.0 111.436 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.88 -55.45 14.66 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.49 1.041 . . . . 0.0 109.304 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.36 -40.68 78.58 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.036 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.44 -39.51 82.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.149 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -43.88 -48.74 8.44 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.782 1.628 . . . . 0.0 110.761 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.34 -49.23 44.54 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.451 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -56.29 -39.22 72.33 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.861 0.755 . . . . 0.0 111.19 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -62.08 -42.35 99.12 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.171 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.35 -39.22 89.8 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.034 1.288 . . . . 0.0 109.346 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.18 -36.27 67.11 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.384 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.89 -36.43 72.39 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.334 1.425 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -64.06 -39.31 93.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.63 1.559 . . . . 0.0 110.01 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.58 -60.37 3.77 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.3 -31.99 72.66 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.937 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.81 0 CA-C-N 120.203 1.365 . . . . 0.0 110.433 -179.435 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 CA--C 1.513 -0.461 0 CA-C-O 119.133 -0.46 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.89 -43.78 98.0 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.059 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.9 mt -57.16 -52.86 50.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 m -47.7 -47.71 29.67 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.542 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.5 -50.14 72.67 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.503 1.047 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -69.03 -54.55 14.57 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.6 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -49.94 -39.54 40.65 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.642 -0.695 . . . . 0.0 111.067 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.22 -50.62 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.34 64.08 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.2 mmt -61.48 -47.42 85.74 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.288 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -53.51 -38.97 64.23 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.691 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.77 -44.42 18.62 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.072 0.851 . . . . 0.0 110.1 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.0 mt -57.44 -32.96 42.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.551 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.83 -21.41 4.17 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.334 1.879 . . . . 0.0 114.423 -175.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -91.78 -48.85 6.57 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.838 1.654 . . . . 0.0 108.841 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -52.11 -46.19 65.18 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.29 0.95 . . . . 0.0 109.741 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.97 -47.37 80.9 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.012 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.63 -43.01 84.53 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.945 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.1 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.152 -0.927 . . . . 0.0 109.839 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -54.53 -37.75 65.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.53 1.514 . . . . 0.0 109.02 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.95 -48.38 80.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.804 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -53.91 -54.39 39.42 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.487 1.039 . . . . 0.0 110.383 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.97 -26.69 60.31 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.396 -1.288 . . . . 0.0 112.058 -170.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.808 0 CA-C-N 120.624 1.556 . . . . 0.0 110.938 176.639 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 m . . . . . 0 CA--C 1.515 -0.376 0 CA-C-O 118.121 -0.943 . . . . 0.0 109.023 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.31 1.414 . . . . 0.0 108.079 172.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.04 -50.85 77.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t -52.19 -49.0 64.72 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.904 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.28 -51.16 60.13 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.705 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -59.57 -43.92 93.45 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.618 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 t -56.92 -41.9 79.01 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.351 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.67 -47.35 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.28 8.42 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.221 -0.991 . . . . 0.0 110.012 -175.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -35.51 76.46 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.744 -177.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.52 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 16.2 t70 -63.18 -57.92 8.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -49.68 -42.19 44.9 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 118.708 0.685 . . . . 0.0 110.979 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.51 -33.43 59.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.232 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 15' ' ' ASP 0.264 0.7 OUTLIER -50.22 -21.47 1.36 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.719 2.054 . . . . 0.0 115.266 -171.345 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -88.19 -48.08 7.97 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.117 1.78 . . . . 0.0 108.311 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -49.3 -45.88 45.79 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 118.964 0.802 . . . . 0.0 109.73 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -55.7 -48.18 75.56 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.951 0.796 . . . . 0.0 110.52 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.93 -44.68 87.03 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.435 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.81 -34.51 66.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-O 118.13 -0.938 . . . . 0.0 108.735 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -53.31 -35.93 60.7 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.932 1.242 . . . . 0.0 109.646 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -62.49 -50.25 72.13 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.811 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.82 -53.83 46.93 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.695 1.134 . . . . 0.0 110.732 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -59.62 -33.23 71.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.382 -0.818 . . . . 0.0 110.95 -168.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.712 0 CA-C-N 118.888 0.767 . . . . 0.0 109.874 178.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.2 m . . . . . 0 CA--C 1.515 -0.392 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.46 -48.57 74.78 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -48.68 87.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 m -59.89 -50.85 72.17 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.145 0.884 . . . . 0.0 109.95 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.93 -50.96 60.13 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.44 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.53 -46.54 86.58 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.111 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 t -58.91 -37.14 75.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.038 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.2 mm -65.84 -47.49 85.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.42 -42.43 67.04 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.307 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.2 mmt -66.52 -42.18 87.69 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.27 -50.69 61.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.479 1.036 . . . . 0.0 109.403 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.99 -47.35 45.95 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.5 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.03 -27.92 37.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.294 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -50.36 -50.24 51.89 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.653 1.569 . . . . 0.0 111.223 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.65 -48.61 25.3 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.209 0.913 . . . . 0.0 109.849 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -54.73 -38.98 67.78 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.043 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.35 -45.68 84.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.158 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.28 -43.83 75.11 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.142 1.337 . . . . 0.0 108.774 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.59 -29.84 48.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-O 117.748 -1.12 . . . . 0.0 110.128 -178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.24 -38.51 71.19 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.724 1.602 . . . . 0.0 108.761 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -57.73 -47.84 81.31 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.886 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.69 -48.89 79.56 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.632 -0.827 . . . . 0.0 108.802 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -57.72 -39.81 78.12 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.317 -173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.582 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.196 -175.505 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 CA--C 1.512 -0.508 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -63.86 -45.25 90.29 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.339 1.427 . . . . 0.0 108.171 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.47 -45.77 93.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.0 m -60.47 -51.54 69.03 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.961 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.464 0.574 . . . . 0.0 110.429 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.33 -47.46 81.49 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.094 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -62.31 -39.48 93.16 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.789 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -60.79 -46.71 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.64 -53.87 45.75 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.46 -35.11 73.45 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.442 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 17.1 t70 -60.47 -60.15 4.27 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.764 1.165 . . . . 0.0 109.761 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -64.43 -33.32 75.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.434 1.015 . . . . 0.0 112.091 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.17 -34.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-O 117.599 -1.191 . . . . 0.0 110.627 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -48.27 -25.73 1.67 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -171.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -85.84 -48.93 8.31 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.614 1.552 . . . . 0.0 108.834 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.47 -44.82 76.83 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.782 0.719 . . . . 0.0 109.971 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.68 -46.88 80.9 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.872 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.96 -46.08 90.56 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.251 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.43 -29.9 43.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.431 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -53.02 -38.26 62.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.747 1.612 . . . . 0.0 109.613 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.13 -42.59 96.75 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 120.73 1.604 . . . . 0.0 109.753 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.04 -53.78 52.79 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 109.125 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.99 -32.73 74.59 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.852 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.833 0 CA-C-N 120.065 1.302 . . . . 0.0 110.956 -178.779 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -67.45 -45.09 77.03 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 107.627 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.94 -49.19 84.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -54.03 -51.48 63.89 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.168 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -52.51 -52.79 52.91 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.284 0.947 . . . . 0.0 110.267 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -62.19 -37.84 86.82 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.6 t -66.9 -39.94 87.59 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.32 0.964 . . . . 0.0 110.006 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.63 -46.09 93.47 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -49.47 71.45 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.069 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.92 -46.89 84.3 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.805 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -49.99 73.75 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.85 -175.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.93 -55.88 16.56 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -48.31 -37.7 7.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.633 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -39.84 -50.16 2.41 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 119.624 1.102 . . . . 0.0 112.592 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.65 -45.12 65.74 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.051 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -51.91 -44.57 63.89 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.858 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.12 -49.26 78.54 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.428 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.34 -47.13 84.75 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.145 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.5 -33.09 50.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.269 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.58 -29.55 68.03 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.524 1.511 . . . . 0.0 110.297 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.51 -40.39 78.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.534 1.515 . . . . 0.0 108.876 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.1 -52.07 66.45 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.979 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.6 -27.28 69.13 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.931 1.241 . . . . 0.0 110.656 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.754 0 CA-C-N 120.308 1.413 . . . . 0.0 110.918 178.615 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m . . . . . 0 CA--C 1.513 -0.445 0 CA-C-O 118.412 -0.804 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -68.21 -48.51 65.0 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.814 1.188 . . . . 0.0 108.494 176.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.22 -48.47 83.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -56.12 -54.65 42.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.455 1.025 . . . . 0.0 110.396 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.01 -52.39 58.57 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.662 0.665 . . . . 0.0 110.114 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.73 -35.66 80.49 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.819 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -62.51 -39.03 92.21 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.515 1.052 . . . . 0.0 110.137 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -69.5 -47.6 71.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.12 71.65 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.392 -0.814 . . . . 0.0 109.401 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 mmt -61.46 -47.01 87.64 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.089 0.859 . . . . 0.0 109.65 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.12 -48.06 71.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.148 0.886 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -68.96 -46.79 67.24 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.029 -0.669 . . . . 0.0 110.021 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.2 mt -58.49 -37.34 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.022 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -46.99 -45.8 21.24 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 120.477 1.489 . . . . 0.0 111.103 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.49 -48.34 23.05 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.418 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -58.91 -42.33 89.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.361 0.982 . . . . 0.0 110.053 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -42.77 -50.0 5.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.865 0.757 . . . . 0.0 111.679 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.48 -42.67 99.14 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.05 -37.34 79.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.539 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -49.23 -43.56 42.77 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.11 1.323 . . . . 0.0 109.474 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -63.65 -45.11 91.66 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.12 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -49.73 -59.58 3.68 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.298 1.408 . . . . 0.0 109.495 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.377 -1.297 . . . . 0.0 111.33 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.801 0 CA-C-N 120.929 1.695 . . . . 0.0 110.025 178.808 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.1 m . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -68.83 -49.12 61.09 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.274 0.943 . . . . 0.0 108.74 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.87 -48.91 85.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 m -57.88 -52.64 64.67 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.178 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.37 -50.21 68.03 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 118.785 0.72 . . . . 0.0 110.152 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.2 t -63.23 -40.85 98.64 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.289 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.6 mm -65.86 -45.02 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 119.481 1.037 . . . . 0.0 108.437 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.88 -47.37 60.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.529 -0.868 . . . . 0.0 108.748 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -52.79 -37.05 59.21 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.337 -0.839 . . . . 0.0 111.296 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -80.12 -41.53 25.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.887 0.767 . . . . 0.0 110.709 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.68 -40.22 68.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 117.44 -1.267 . . . . 0.0 110.409 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.278 0.6 OUTLIER -54.32 -16.73 2.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.121 1.782 . . . . 0.0 114.175 -174.038 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.57 -50.23 4.81 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.875 1.67 . . . . 0.0 109.708 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -55.17 -48.59 73.54 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.167 1.349 . . . . 0.0 109.909 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.86 -45.58 30.4 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.561 0.619 . . . . 0.0 109.854 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -59.28 -41.22 88.39 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.172 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.54 -39.23 84.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 117.451 -1.262 . . . . 0.0 109.172 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -44.83 -38.62 4.67 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.116 1.325 . . . . 0.0 110.112 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -73.44 -43.21 60.85 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.3 -1.333 . . . . 0.0 110.874 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp -53.78 -58.34 7.58 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 120.999 1.727 . . . . 0.0 107.751 175.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -29.67 66.0 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.664 1.12 . . . . 0.0 111.05 -173.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.838 0 CA-C-N 120.071 1.305 . . . . 0.0 109.21 174.354 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.86 -34.12 77.1 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.464 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.87 -52.07 65.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -58.02 -43.29 86.63 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.884 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.299 0.954 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -62.48 -42.01 99.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.131 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -55.77 -39.21 70.92 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.729 0.695 . . . . 0.0 110.469 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.8 mt -67.3 -46.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.2 -53.51 56.31 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.788 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -61.13 -41.31 96.49 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.388 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -50.21 -57.23 8.25 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.622 0.576 . . . . 0.0 109.87 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -65.2 -51.2 62.48 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.64 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.2 mt -51.17 -42.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 117.112 -1.423 . . . . 0.0 110.236 -168.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -42.28 -44.82 3.99 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.196 1.362 . . . . 0.0 111.478 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.57 -49.49 40.03 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.467 0.576 . . . . 0.0 110.759 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.49 -37.18 80.22 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.384 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.51 -35.32 79.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.586 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.76 -42.52 93.44 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.106 1.776 . . . . 0.0 108.125 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.4 t -63.41 -33.59 62.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.892 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -54.21 -49.17 70.01 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 120.487 1.494 . . . . 0.0 107.063 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -56.17 -38.79 71.38 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.602 -1.19 . . . . 0.0 110.058 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.72 -56.74 17.67 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.955 1.707 . . . . 0.0 110.187 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.84 -23.73 67.32 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.87 -172.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.75 0 CA-C-N 119.441 1.019 . . . . 0.0 109.103 178.097 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 m . . . . . 0 CA--C 1.511 -0.538 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.29 -46.57 88.2 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.836 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm -57.01 -46.88 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 t -57.66 -53.95 52.42 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.9 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.34 -52.89 57.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.469 1.031 . . . . 0.0 109.663 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -59.63 -36.46 76.4 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.039 -0.982 . . . . 0.0 111.58 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t -66.22 -38.91 89.06 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.905 1.23 . . . . 0.0 109.826 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.33 -45.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.53 81.74 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.601 -0.84 . . . . 0.0 108.916 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.4 mmt -59.39 -49.63 77.06 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.088 0.858 . . . . 0.0 109.675 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.55 -49.36 72.88 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.144 -177.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -45.28 84.88 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.792 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.8 mt -58.25 -44.45 88.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 117.696 -1.145 . . . . 0.0 109.673 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -41.54 -50.05 4.02 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.099 1.318 . . . . 0.0 112.728 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -65.66 -50.21 65.81 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.675 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -51.63 -42.58 62.14 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -59.72 -49.62 77.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.724 0.693 . . . . 0.0 110.063 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.48 -44.29 96.09 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.373 -0.931 . . . . 0.0 110.282 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.84 -35.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.65 -0.691 . . . . 0.0 109.382 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.64 -33.79 70.46 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.564 1.075 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -60.41 -40.23 90.27 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 120.737 1.608 . . . . 0.0 108.586 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.96 -50.74 67.43 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.776 -1.106 . . . . 0.0 109.096 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.635 1.561 . . . . 0.0 109.441 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.708 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.539 176.639 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.2 m . . . . . 0 C--O 1.222 -0.392 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.13 -46.71 73.31 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.291 0.951 . . . . 0.0 108.764 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.33 -47.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 m -55.86 -51.77 66.39 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.387 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.96 -51.08 44.18 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.975 0.807 . . . . 0.0 110.53 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -58.33 -45.6 87.82 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.548 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -56.45 -38.53 71.78 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.965 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.13 -46.84 94.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 119.661 1.119 . . . . 0.0 108.229 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.1 -40.84 74.29 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.178 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 90.3 mmm -61.11 -40.27 93.11 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.373 0.988 . . . . 0.0 110.227 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.17 -46.54 62.1 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.339 0.972 . . . . 0.0 110.807 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -82.02 -40.08 22.6 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.39 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -59.75 -41.76 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -55.45 -52.22 64.34 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.518 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.8 -48.27 64.02 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.068 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -61.64 -43.7 98.37 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.553 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.41 -38.9 69.55 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.856 0.753 . . . . 0.0 110.646 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -51.06 71.57 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.95 -38.84 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -51.98 -40.83 61.53 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.247 1.385 . . . . 0.0 109.79 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -62.7 -41.35 99.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.2 -0.905 . . . . 0.0 109.506 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.24 -56.48 21.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.312 1.414 . . . . 0.0 109.939 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.69 -15.94 63.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.545 -1.217 . . . . 0.0 112.237 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.716 0 CA-C-N 120.552 1.524 . . . . 0.0 109.066 173.091 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.511 -0.522 0 CA-C-O 118.81 -0.614 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.39 -47.19 83.04 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.314 -0.851 . . . . 0.0 109.873 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.71 -55.96 16.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.6 m -50.39 -44.54 54.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.266 0.939 . . . . 0.0 110.74 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.72 -51.2 70.51 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.854 0.752 . . . . 0.0 109.794 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -63.2 -44.9 94.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -50.56 -46.57 57.69 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.846 0.748 . . . . 0.0 109.513 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.49 -48.17 89.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.22 3.83 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.641 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.45 -36.89 74.36 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.491 1.042 . . . . 0.0 110.2 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.45 -59.01 5.57 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.181 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.54 -46.86 66.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.626 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.04 -35.54 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.586 -1.674 . . . . 0.0 110.768 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -48.19 -50.32 29.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.058 1.754 . . . . 0.0 110.082 -175.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -62.69 -47.4 83.81 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.247 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -60.22 -36.59 78.05 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.117 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.93 -43.12 99.66 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.7 1.136 . . . . 0.0 109.632 -177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.82 -41.06 81.46 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.69 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.03 -34.64 71.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.907 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -49.88 -36.74 28.3 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.133 1.333 . . . . 0.0 111.047 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.25 -41.78 85.04 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.328 0.967 . . . . 0.0 110.21 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.82 -58.7 7.36 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.915 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.861 0 CA-C-N 120.324 1.42 . . . . 0.0 111.145 -179.613 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 CA--C 1.511 -0.553 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.86 156.88 0.1 Allowed 'General case' 0 C--N 1.356 0.882 0 O-C-N 123.74 0.65 . . . . 0.0 111.003 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -81.79 147.86 29.19 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.25 93.64 0.1 OUTLIER Glycine 0 C--N 1.354 1.557 0 CA-C-O 118.259 -1.301 . . . . 0.0 109.951 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.1 m -58.95 -45.16 91.14 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.269 1.535 . . . . 0.0 109.848 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.23 -43.52 95.98 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.23 0.923 . . . . 0.0 109.776 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.1 -49.29 85.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -57.11 -49.58 75.46 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 118.641 0.655 . . . . 0.0 110.135 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -56.82 -51.72 67.86 Favored 'General case' 0 C--N 1.351 0.634 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 -176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.65 -41.85 98.17 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.858 -178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.5 t -57.28 -41.61 80.08 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.562 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.9 mm -65.12 -43.78 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.717 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.9 -44.56 74.28 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 119.303 -0.959 . . . . 0.0 109.451 178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.6 mmt -61.49 -43.18 99.33 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.423 -0.799 . . . . 0.0 109.583 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -53.44 -48.96 68.34 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.265 0.939 . . . . 0.0 111.178 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -75.14 -45.41 41.08 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.259 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -59.89 -33.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.579 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -53.49 -52.82 58.35 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 120.765 1.62 . . . . 0.0 110.636 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -72.45 -44.97 61.62 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.789 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -65.31 -31.9 73.28 Favored 'General case' 0 C--N 1.35 0.611 0 C-N-CA 120.129 -0.629 . . . . 0.0 111.457 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -62.08 -41.88 98.63 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 118.984 0.811 . . . . 0.0 109.944 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -58.13 -40.73 82.01 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.845 1.202 . . . . 0.0 108.943 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.1 t -63.1 -35.92 73.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-O 118.279 -0.867 . . . . 0.0 108.711 177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.63 -34.92 69.82 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.407 1.458 . . . . 0.0 109.262 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -55.12 -42.9 73.58 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 120.036 1.289 . . . . 0.0 108.964 175.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.76 -51.41 69.44 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.826 -1.083 . . . . 0.0 109.705 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . 0.26 1.9 pp -55.94 -36.23 67.52 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.035 1.289 . . . . 0.0 110.869 -172.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.89 -49.77 72.5 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 119.488 1.04 . . . . 0.0 111.592 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -73.12 -62.65 1.39 Allowed 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.163 0.892 . . . . 0.0 110.176 -174.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -59.22 -31.45 69.06 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.127 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.19 -44.79 97.04 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 109.959 -1.256 . . . . 0.0 109.959 174.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -62.18 -43.57 98.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 118.067 0.933 . . . . 0.0 108.921 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -52.6 -47.23 67.06 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -103.4 46.19 0.93 Allowed 'General case' 0 C--N 1.355 0.843 0 O-C-N 123.947 0.779 . . . . 0.0 110.427 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -51.64 -42.84 62.36 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 173.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -153.11 60.41 0.78 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.615 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -110.79 37.53 2.76 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -174.72 140.28 0.58 Allowed 'General case' 0 C--N 1.354 0.786 0 CA-C-O 116.838 -1.553 . . . . 0.0 107.763 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -159.05 56.78 0.42 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-N 120.499 1.5 . . . . 0.0 109.322 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.8 mt 54.15 81.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.829 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.6 m 65.34 74.1 0.39 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 -172.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? . . . . . 0 C--N 1.355 0.832 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.672 -173.812 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 CA--C 1.509 -0.612 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.8 54.21 11.43 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 123.773 0.671 . . . . 0.0 110.38 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -63.14 104.55 0.59 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.829 -1.082 . . . . 0.0 108.461 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.39 -164.9 32.8 Favored Glycine 0 C--N 1.354 1.554 0 CA-C-N 120.086 1.312 . . . . 0.0 110.236 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.3 m -112.9 -59.73 1.98 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 119.498 1.044 . . . . 0.0 108.599 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.95 -43.06 98.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -176.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -59.48 -53.5 57.37 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 119.924 1.238 . . . . 0.0 109.481 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -52.36 -47.88 65.87 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.793 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.23 -44.49 95.1 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.12 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -54.31 -42.61 70.31 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.115 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.7 mm -68.63 -46.02 80.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.87 16.27 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.662 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 119.106 0.866 . . . . 0.0 110.828 -177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -63.34 -52.01 63.56 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 118.772 0.714 . . . . 0.0 110.247 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -67.25 -41.88 84.84 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 119.922 -0.711 . . . . 0.0 109.258 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -56.56 -41.69 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.619 -1.182 . . . . 0.0 108.934 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -50.27 -52.78 33.46 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 119.957 1.253 . . . . 0.0 112.665 -174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -61.39 -49.95 74.85 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.945 1.248 . . . . 0.0 108.919 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -55.11 -36.68 65.97 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.749 -0.781 . . . . 0.0 110.843 -177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.63 -48.46 59.89 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.47 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.46 -45.05 76.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.045 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.18 -36.92 76.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-O 118.328 -0.844 . . . . 0.0 108.771 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.5 -30.38 66.99 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.322 1.419 . . . . 0.0 110.507 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -62.72 -36.82 84.21 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 121.512 1.96 . . . . 0.0 109.336 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.33 -48.41 81.46 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 119.938 1.244 . . . . 0.0 109.459 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.61 -30.21 70.54 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 120.59 1.541 . . . . 0.0 109.685 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -45.61 81.4 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.858 1.208 . . . . 0.0 109.239 174.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -60.91 -45.05 96.19 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -62.16 -33.14 73.95 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 119.695 -0.802 . . . . 0.0 109.883 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.48 -48.05 87.87 Favored Glycine 0 C--N 1.353 1.526 0 N-CA-C 109.963 -1.255 . . . . 0.0 109.963 176.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.44 -49.69 75.44 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 118.454 1.127 . . . . 0.0 108.397 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -51.57 -45.6 63.14 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 118.638 -0.696 . . . . 0.0 109.481 -179.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -98.75 58.03 1.16 Allowed 'General case' 0 C--N 1.355 0.841 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -65.18 -41.8 94.27 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 172.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -152.48 55.75 0.81 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -114.84 63.2 0.67 Allowed 'General case' 0 C--N 1.355 0.832 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.6 t60 58.49 83.05 0.13 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.655 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -93.02 82.99 4.63 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.1 mt 60.13 87.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.434 -0.794 . . . . 0.0 109.147 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.0 p 51.99 43.53 30.25 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.863 0.756 . . . . 0.0 109.224 177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 . . . . . 0 C--N 1.356 0.855 0 O-C-N 123.678 0.611 . . . . 0.0 111.5 -179.67 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 119.05 -0.5 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.26 170.43 0.13 Allowed 'General case' 0 C--N 1.354 0.761 0 CA-C-O 119.409 -0.329 . . . . 0.0 111.749 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -72.11 148.63 45.54 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.05 104.26 0.17 Allowed Glycine 0 C--N 1.353 1.505 0 CA-C-O 117.127 -1.929 . . . . 0.0 109.212 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.5 m -57.52 -44.11 84.83 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.48 2.14 . . . . 0.0 109.778 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -60.73 -43.86 97.36 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 119.313 -0.955 . . . . 0.0 109.702 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.43 -48.78 85.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -54.81 -47.1 74.46 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-N 119.078 0.853 . . . . 0.0 110.317 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -54.46 -50.98 66.44 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.441 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.97 -48.78 72.82 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.109 -1.036 . . . . 0.0 110.411 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.1 t -48.17 -41.24 26.41 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.251 0.478 . . . . 0.0 110.377 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mm -66.19 -51.46 59.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 119.598 -0.841 . . . . 0.0 108.774 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.75 -60.07 3.71 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.257 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -35.69 67.89 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 119.601 -0.84 . . . . 0.0 111.012 -177.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.4 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 31.2 t70 -67.36 -55.03 15.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.463 -1.256 . . . . 0.0 110.524 -176.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -57.46 -43.85 84.33 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 120.992 1.724 . . . . 0.0 109.305 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.88 -35.52 51.99 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 CA-C-O 117.008 -1.472 . . . . 0.0 111.835 -173.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 15' ' ' ASP 0.259 0.6 OUTLIER -53.96 -19.51 4.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 121.388 1.904 . . . . 0.0 115.62 -167.847 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -88.67 -52.36 5.18 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.11 1.777 . . . . 0.0 108.194 173.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -50.81 -37.71 44.22 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 118.536 0.607 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.82 -43.18 93.94 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 118.356 -0.831 . . . . 0.0 111.122 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -58.95 -40.94 86.2 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.407 1.458 . . . . 0.0 108.539 175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.4 t -64.01 -30.39 49.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.699 0 CA-C-O 117.542 -1.218 . . . . 0.0 110.259 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -52.84 -35.18 56.93 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 121.045 1.748 . . . . 0.0 108.25 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -66.6 -40.91 89.07 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.988 1.267 . . . . 0.0 111.095 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.33 -46.4 88.72 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.033 1.288 . . . . 0.0 107.772 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.1 tp -53.86 -45.25 70.92 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.139 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.53 -37.71 73.51 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.623 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -60.82 -50.67 72.52 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -58.09 -22.81 52.23 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-O 117.854 -1.07 . . . . 0.0 111.638 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -52.24 -51.76 40.03 Favored Glycine 0 C--N 1.355 1.612 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 171.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -83.32 -64.64 1.13 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.18 68.24 0.5 Allowed 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 -176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 137.05 -64.95 0.0 OUTLIER 'General case' 0 C--N 1.356 0.875 0 N-CA-C 106.395 -1.705 . . . . 0.0 106.395 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.5 t0 59.75 60.33 2.24 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 81.5 t90 51.97 62.86 2.48 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -140.31 85.65 2.03 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.477 ' O ' ' CG ' ' A' ' 38' ' ' HIS . 78.5 t60 40.26 49.83 2.54 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.645 0.657 . . . . 0.0 109.458 -176.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -74.94 78.57 2.16 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.2 mt 55.22 71.85 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 74.03 10.88 4.47 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.453 -0.785 . . . . 0.0 111.479 -177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.354 0.793 0 CA-C-N 119.676 1.125 . . . . 0.0 111.585 -177.274 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 CA--C 1.51 -0.592 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.36 -52.11 64.58 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -86.3 85.27 7.33 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 105.182 -2.155 . . . . 0.0 105.182 171.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.26 175.21 4.41 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 119.725 -1.226 . . . . 0.0 110.797 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -60.97 -50.68 72.41 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.635 1.218 . . . . 0.0 108.396 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -48.9 -46.49 42.91 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 119.031 0.832 . . . . 0.0 110.437 177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.28 -41.97 84.13 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 -175.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 t -54.69 -48.66 72.15 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.718 1.144 . . . . 0.0 108.201 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -49.15 -46.33 45.05 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.257 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -67.0 -48.0 69.78 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 118.815 -1.154 . . . . 0.0 110.472 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -47.98 -38.02 15.95 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 118.624 0.647 . . . . 0.0 110.67 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.0 mm -72.56 -49.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.97 -56.46 14.1 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.807 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 ptm -55.67 -38.63 69.86 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 119.829 1.195 . . . . 0.0 111.436 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.88 -55.45 14.66 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.49 1.041 . . . . 0.0 109.304 -175.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.36 -40.68 78.58 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.036 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.44 -39.51 82.74 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-O 117.026 -1.464 . . . . 0.0 110.149 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -43.88 -48.74 8.44 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.782 1.628 . . . . 0.0 110.761 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -71.34 -49.23 44.54 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.451 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -56.29 -39.22 72.33 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 118.861 0.755 . . . . 0.0 111.19 -176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -62.08 -42.35 99.12 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.171 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.35 -39.22 89.8 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 120.034 1.288 . . . . 0.0 109.346 176.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.18 -36.27 67.11 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.384 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.89 -36.43 72.39 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 120.334 1.425 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.5 t90 -64.06 -39.31 93.8 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.63 1.559 . . . . 0.0 110.01 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 mp -57.58 -60.37 3.77 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -62.3 -31.99 72.66 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 119.147 -1.021 . . . . 0.0 109.937 -175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.9 -33.1 35.41 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 120.203 1.365 . . . . 0.0 110.433 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -60.69 -47.13 87.65 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.34 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -56.08 -25.69 46.5 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 119.891 1.223 . . . . 0.0 112.625 -170.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.94 -42.67 38.95 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -84.85 -51.68 6.58 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.746 172.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt 58.98 62.43 1.88 Allowed 'General case' 0 C--N 1.353 0.737 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 53.01 62.9 2.46 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.882 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -111.8 65.58 0.63 Allowed 'General case' 0 C--N 1.352 0.687 0 N-CA-C 105.687 -1.968 . . . . 0.0 105.687 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.1 t90 53.89 70.14 0.64 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.151 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -133.39 26.0 4.13 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 119.277 0.944 . . . . 0.0 111.791 173.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -160.78 101.29 1.3 Allowed 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -125.88 58.62 1.33 Allowed 'General case' 0 C--N 1.355 0.807 0 N-CA-C 107.775 -1.194 . . . . 0.0 107.775 -173.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.7 mt 70.51 115.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.824 0 O-C-N 125.116 1.51 . . . . 0.0 107.206 -176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.5 m 50.51 63.49 2.2 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 119.318 0.963 . . . . 0.0 108.866 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 . . . . . 0 C--N 1.354 0.776 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.631 178.566 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.74 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.448 177.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.17 -58.36 6.2 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 121.182 1.81 . . . . 0.0 107.245 176.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.2 71.05 0.62 Allowed Glycine 0 C--N 1.355 1.619 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.5 m -50.6 -43.48 56.69 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.792 1.796 . . . . 0.0 109.997 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -60.89 -43.78 98.0 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.442 -0.903 . . . . 0.0 110.059 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.9 mt -57.16 -52.86 50.95 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 m -47.7 -47.71 29.67 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.542 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.5 -50.14 72.67 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 119.503 1.047 . . . . 0.0 110.497 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -69.03 -54.55 14.57 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.6 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -49.94 -39.54 40.65 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.642 -0.695 . . . . 0.0 111.067 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.22 -50.62 79.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.34 64.08 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 119.456 -0.898 . . . . 0.0 109.901 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 31.2 mmt -61.48 -47.42 85.74 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.288 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -53.51 -38.97 64.23 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.177 -0.915 . . . . 0.0 111.691 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.77 -44.42 18.62 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.072 0.851 . . . . 0.0 110.1 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.0 mt -57.44 -32.96 42.92 Favored 'Isoleucine or valine' 0 C--N 1.35 0.622 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.551 -172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -52.83 -21.41 4.17 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 121.334 1.879 . . . . 0.0 114.423 -175.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -91.78 -48.85 6.57 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.838 1.654 . . . . 0.0 108.841 175.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -52.11 -46.19 65.18 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.29 0.95 . . . . 0.0 109.741 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.97 -47.37 80.9 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.012 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -57.63 -43.01 84.53 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.945 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.1 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 118.152 -0.927 . . . . 0.0 109.839 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -54.53 -37.75 65.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.53 1.514 . . . . 0.0 109.02 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.95 -48.38 80.1 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.804 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -53.91 -54.39 39.42 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.487 1.039 . . . . 0.0 110.383 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.97 -26.69 60.31 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.396 -1.288 . . . . 0.0 112.058 -170.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.45 89.55 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 120.624 1.556 . . . . 0.0 110.938 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -71.15 -42.24 69.4 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.463 -0.779 . . . . 0.0 109.712 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.68 -32.77 74.51 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.72 -44.63 62.19 Favored Glycine 0 C--N 1.355 1.585 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.95 -56.55 20.38 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 105.958 -1.867 . . . . 0.0 105.958 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -43.61 -49.15 7.68 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -86.49 49.38 1.79 Allowed 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.668 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.67 -56.1 5.17 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -147.2 58.3 1.15 Allowed 'General case' 0 C--N 1.356 0.862 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -121.06 49.09 1.53 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 160.41 65.19 0.0 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.898 1.374 . . . . 0.0 107.853 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -160.98 84.91 0.67 Allowed 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -172.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.6 mt 60.6 77.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.771 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.0 m 63.28 72.68 0.47 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 C--N 1.355 0.813 0 CA-C-O 121.253 0.549 . . . . 0.0 109.907 175.803 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 45.63 -101.54 0.05 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 117.014 -1.469 . . . . 0.0 110.073 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -79.22 105.56 10.63 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 121.221 1.828 . . . . 0.0 106.301 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.74 73.85 2.51 Favored Glycine 0 C--N 1.354 1.534 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 m -144.26 -63.75 0.37 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 118.263 1.031 . . . . 0.0 109.023 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -68.43 -48.62 64.12 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 120.31 1.414 . . . . 0.0 108.079 172.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.04 -50.85 77.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.601 -1.629 . . . . 0.0 106.601 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 t -52.19 -49.0 64.72 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 119.797 -0.761 . . . . 0.0 109.904 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.28 -51.16 60.13 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.831 -0.748 . . . . 0.0 109.705 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -59.57 -43.92 93.45 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.519 -0.872 . . . . 0.0 110.618 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.8 t -56.92 -41.9 79.01 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 119.635 -0.826 . . . . 0.0 109.351 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.67 -47.35 89.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.28 8.42 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.221 -0.991 . . . . 0.0 110.012 -175.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -35.51 76.46 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.744 -177.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.52 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 16.2 t70 -63.18 -57.92 8.92 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -49.68 -42.19 44.9 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 118.708 0.685 . . . . 0.0 110.979 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 63.3 mt -62.51 -33.43 59.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.232 -175.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 15' ' ' ASP 0.264 0.7 OUTLIER -50.22 -21.47 1.36 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 121.719 2.054 . . . . 0.0 115.266 -171.345 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -88.19 -48.08 7.97 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.117 1.78 . . . . 0.0 108.311 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -49.3 -45.88 45.79 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 118.964 0.802 . . . . 0.0 109.73 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -55.7 -48.18 75.56 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.951 0.796 . . . . 0.0 110.52 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.93 -44.68 87.03 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.435 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -62.81 -34.51 66.22 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-O 118.13 -0.938 . . . . 0.0 108.735 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -53.31 -35.93 60.7 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.932 1.242 . . . . 0.0 109.646 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -62.49 -50.25 72.13 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 119.076 -1.05 . . . . 0.0 108.811 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.82 -53.83 46.93 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.695 1.134 . . . . 0.0 110.732 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -59.62 -33.23 71.22 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.382 -0.818 . . . . 0.0 110.95 -168.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.02 -50.42 73.48 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.888 0.767 . . . . 0.0 109.874 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -70.43 -29.23 65.77 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.485 -1.245 . . . . 0.0 110.06 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -49.05 79.18 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.16 -49.53 67.3 Favored Glycine 0 C--N 1.353 1.512 0 C-N-CA 119.753 -1.213 . . . . 0.0 110.997 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -56.63 -36.14 69.13 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 117.687 0.744 . . . . 0.0 109.912 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt 52.4 43.43 30.91 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 38.46 46.37 0.94 Allowed 'General case' 0 C--N 1.352 0.681 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.82 -49.01 78.08 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 174.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -144.03 39.28 1.34 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-O 119.142 -0.456 . . . . 0.0 110.07 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -93.21 72.03 4.55 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 47.55 47.8 17.27 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.33 -174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -89.45 60.16 5.08 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.4 mt 54.4 46.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -175.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -159.8 39.75 0.19 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 118.884 -0.579 . . . . 0.0 112.561 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? . . . . . 0 C--N 1.355 0.831 0 CA-C-N 119.378 0.99 . . . . 0.0 109.513 -177.25 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 CA--C 1.508 -0.655 0 CA-C-O 118.839 -0.6 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.74 160.72 31.11 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.08 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.25 -47.37 86.35 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.92 72.66 0.25 Allowed Glycine 0 C--N 1.355 1.587 0 C-N-CA 119.948 -1.12 . . . . 0.0 111.945 -178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.2 m -140.01 -64.23 0.48 Allowed 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.46 -48.57 74.78 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.99 -48.68 87.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.9 m -59.89 -50.85 72.17 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 119.145 0.884 . . . . 0.0 109.95 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.93 -50.96 60.13 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.095 -0.642 . . . . 0.0 109.44 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -58.53 -46.54 86.58 Favored 'General case' 0 C--N 1.349 0.569 0 C-N-CA 119.793 -0.763 . . . . 0.0 110.111 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.1 t -58.91 -37.14 75.97 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.572 -0.728 . . . . 0.0 111.038 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.2 mm -65.84 -47.49 85.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.42 -42.43 67.04 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.307 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.2 mmt -66.52 -42.18 87.69 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.579 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.27 -50.69 61.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.479 1.036 . . . . 0.0 109.403 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -72.99 -47.35 45.95 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 119.336 -0.946 . . . . 0.0 110.5 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 84.8 mt -59.03 -27.92 37.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.294 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -50.36 -50.24 51.89 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.653 1.569 . . . . 0.0 111.223 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.65 -48.61 25.3 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.209 0.913 . . . . 0.0 109.849 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -54.73 -38.98 67.78 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.933 -0.707 . . . . 0.0 110.043 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -57.35 -45.68 84.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.158 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -55.28 -43.83 75.11 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 120.142 1.337 . . . . 0.0 108.774 175.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.59 -29.84 48.32 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-O 117.748 -1.12 . . . . 0.0 110.128 -178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -56.24 -38.51 71.19 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 120.724 1.602 . . . . 0.0 108.761 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -57.73 -47.84 81.31 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.886 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.3 mt -58.69 -48.89 79.56 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 119.632 -0.827 . . . . 0.0 108.802 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.0 tp -57.72 -39.81 78.12 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.317 -173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.02 -48.77 67.36 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 119.412 -0.915 . . . . 0.0 110.196 -175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -60.41 -62.34 1.94 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.506 -1.235 . . . . 0.0 108.273 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -49.38 -32.12 10.85 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.737 1.608 . . . . 0.0 111.624 -178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.58 -51.55 57.18 Favored Glycine 0 C--N 1.353 1.5 0 C-N-CA 119.553 -1.308 . . . . 0.0 110.122 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -70.38 -58.52 3.64 Favored 'General case' 0 C--N 1.355 0.804 0 N-CA-C 107.886 -1.154 . . . . 0.0 107.886 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm 75.93 62.08 0.05 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m120 50.37 48.58 22.13 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.562 0.539 . . . . 0.0 110.824 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -95.89 61.75 2.2 Favored 'General case' 0 C--N 1.354 0.797 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 36.1 t90 49.28 54.09 11.55 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 119.162 -0.447 . . . . 0.0 110.545 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.65 59.84 1.6 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 174.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.6 t60 166.65 117.55 0.01 OUTLIER 'General case' 0 C--N 1.353 0.761 0 CA-C-O 116.424 -1.75 . . . . 0.0 106.839 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -141.44 61.13 1.48 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.843 1.656 . . . . 0.0 110.292 -174.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.8 mt 58.45 83.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.827 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t 41.57 49.54 3.66 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.508 0.595 . . . . 0.0 109.539 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 C--N 1.353 0.744 0 O-C-N 123.915 0.759 . . . . 0.0 111.115 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 41.66 -105.35 0.06 Allowed 'General case' 0 C--N 1.356 0.875 0 CA-C-O 116.98 -1.486 . . . . 0.0 110.951 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -84.79 87.47 7.32 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 104.635 -2.357 . . . . 0.0 104.635 172.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.8 68.06 3.62 Favored Glycine 0 C--N 1.353 1.52 0 N-CA-C 108.762 -1.735 . . . . 0.0 108.762 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.2 m -135.16 -64.49 0.65 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -63.86 -45.25 90.29 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.339 1.427 . . . . 0.0 108.171 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -59.47 -45.77 93.43 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.0 m -60.47 -51.54 69.03 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.961 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -57.99 -51.07 71.2 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 118.464 0.574 . . . . 0.0 110.429 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -57.33 -47.46 81.49 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.094 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.5 t -62.31 -39.48 93.16 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.789 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.5 mt -60.79 -46.71 95.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.64 -53.87 45.75 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.6 mmt -59.46 -35.11 73.45 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.104 -0.951 . . . . 0.0 111.309 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.442 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 17.1 t70 -60.47 -60.15 4.27 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.764 1.165 . . . . 0.0 109.761 -177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -64.43 -33.32 75.6 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.434 1.015 . . . . 0.0 112.091 -175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.9 mt -57.17 -34.04 44.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 CA-C-O 117.599 -1.191 . . . . 0.0 110.627 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -48.27 -25.73 1.67 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 114.973 1.472 . . . . 0.0 114.973 -171.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -85.84 -48.93 8.31 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.614 1.552 . . . . 0.0 108.834 175.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.47 -44.82 76.83 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.782 0.719 . . . . 0.0 109.971 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -56.68 -46.88 80.9 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.872 178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -59.96 -46.08 90.56 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.251 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.43 -29.9 43.18 Favored 'Isoleucine or valine' 0 C--N 1.352 0.679 0 CA-C-O 117.754 -1.117 . . . . 0.0 110.431 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -53.02 -38.26 62.2 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 120.747 1.612 . . . . 0.0 109.613 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -64.13 -42.59 96.75 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 120.73 1.604 . . . . 0.0 109.753 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.7 mt -56.04 -53.78 52.79 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 109.125 177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.99 -32.73 74.59 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.852 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.45 -34.92 64.92 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 120.065 1.302 . . . . 0.0 110.956 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -51.94 -35.97 47.7 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.232 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -44.55 -31.37 1.1 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-O 118.178 -0.915 . . . . 0.0 113.322 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.06 -63.18 4.96 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 119.65 1.114 . . . . 0.0 111.034 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -80.09 -59.65 2.64 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 52.62 42.86 31.66 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.659 0.6 . . . . 0.0 109.702 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ASP . 54.3 m-80 -161.97 -59.58 0.05 OUTLIER 'General case' 0 C--N 1.354 0.772 0 CA-C-O 117.46 -1.257 . . . . 0.0 110.671 176.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' ASN . 5.8 m-20 -28.17 -45.64 0.03 OUTLIER 'General case' 0 C--N 1.358 0.942 0 CA-C-N 118.832 0.742 . . . . 0.0 112.513 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.2 t90 -149.59 67.09 1.0 Allowed 'General case' 0 C--N 1.353 0.721 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 171.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -153.72 69.58 0.8 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 61.98 70.25 0.59 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 123.398 0.436 . . . . 0.0 111.33 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -79.19 79.94 5.57 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 118.867 -0.587 . . . . 0.0 109.668 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 mt 56.49 55.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.791 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 171.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m 52.87 50.37 18.17 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 . . . . . 0 C--N 1.354 0.782 0 CA-C-O 121.195 0.521 . . . . 0.0 110.707 179.132 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.2 t80 . . . . . 0 CA--C 1.512 -0.506 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.58 115.13 2.35 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.643 -1.17 . . . . 0.0 108.256 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -94.98 -126.55 0.12 Allowed 'General case' 0 C--N 1.355 0.813 0 CA-C-O 115.987 -1.958 . . . . 0.0 105.846 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.82 85.82 1.45 Allowed Glycine 0 C--N 1.354 1.582 0 CA-C-N 122.619 2.463 . . . . 0.0 107.66 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.5 m -134.52 -70.93 0.5 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 118.77 1.285 . . . . 0.0 109.155 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -67.45 -45.09 77.03 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 120.247 1.385 . . . . 0.0 107.627 172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.94 -49.19 84.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -54.03 -51.48 63.89 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.168 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -52.51 -52.79 52.91 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 119.284 0.947 . . . . 0.0 110.267 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -62.19 -37.84 86.82 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.533 -0.746 . . . . 0.0 111.607 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.6 t -66.9 -39.94 87.59 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 119.32 0.964 . . . . 0.0 110.006 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.63 -46.09 93.47 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.01 -49.47 71.45 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.578 -0.849 . . . . 0.0 109.069 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 2.5 mmt -57.92 -46.89 84.3 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.805 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -56.82 -49.99 73.75 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.85 -175.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -64.93 -55.88 16.56 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -48.31 -37.7 7.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.69 0 CA-C-O 117.771 -1.109 . . . . 0.0 110.633 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -39.84 -50.16 2.41 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 119.624 1.102 . . . . 0.0 112.592 -176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.65 -45.12 65.74 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.467 -0.893 . . . . 0.0 109.051 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -51.91 -44.57 63.89 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.858 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.12 -49.26 78.54 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.397 -0.811 . . . . 0.0 110.428 -178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -58.34 -47.13 84.75 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 118.94 -1.104 . . . . 0.0 109.145 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.5 -33.09 50.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.269 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -59.58 -29.55 68.03 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 120.524 1.511 . . . . 0.0 110.297 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.51 -40.39 78.63 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 120.534 1.515 . . . . 0.0 108.876 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -61.1 -52.07 66.45 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 118.093 -0.956 . . . . 0.0 109.979 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pp -63.6 -27.28 69.13 Favored 'General case' 0 C--N 1.357 0.914 0 CA-C-N 119.931 1.241 . . . . 0.0 110.656 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.96 46.3 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 120.308 1.413 . . . . 0.0 110.918 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -78.34 -26.33 46.74 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.176 -1.868 . . . . 0.0 112.34 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -49.37 -34.98 17.42 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 122.506 2.412 . . . . 0.0 112.135 -171.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.04 -51.69 56.91 Favored Glycine 0 C--N 1.353 1.525 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.107 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -73.3 -66.16 0.72 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm 48.89 50.84 17.03 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -169.67 -55.35 0.02 OUTLIER 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.123 -0.941 . . . . 0.0 111.795 -175.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -40.17 -48.36 2.53 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 119.294 0.952 . . . . 0.0 110.768 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -150.76 60.97 0.93 Allowed 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -131.07 69.09 1.47 Allowed 'General case' 0 C--N 1.354 0.767 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 54.55 31.95 15.97 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.619 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -80.7 70.43 7.45 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 173.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt 52.4 55.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 t -155.49 48.35 0.52 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 C--N 1.355 0.844 0 CA-C-O 121.714 0.769 . . . . 0.0 109.849 -175.246 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 p90 . . . . . 0 CA--C 1.512 -0.509 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.16 55.37 9.61 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 118.792 0.724 . . . . 0.0 110.104 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.96 145.36 55.99 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.89 -145.18 10.15 Favored Glycine 0 C--N 1.355 1.587 0 CA-C-O 117.723 -1.598 . . . . 0.0 110.93 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.9 m -142.95 -65.81 0.39 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.086 1.443 . . . . 0.0 109.622 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -68.21 -48.51 65.0 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.814 1.188 . . . . 0.0 108.494 176.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -65.22 -48.47 83.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 -177.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -56.12 -54.65 42.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 119.455 1.025 . . . . 0.0 110.396 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.01 -52.39 58.57 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.662 0.665 . . . . 0.0 110.114 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -62.73 -35.66 80.49 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.819 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -62.51 -39.03 92.21 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.515 1.052 . . . . 0.0 110.137 177.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -69.5 -47.6 71.26 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.12 71.65 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 118.392 -0.814 . . . . 0.0 109.401 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 7.7 mmt -61.46 -47.01 87.64 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.089 0.859 . . . . 0.0 109.65 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -54.12 -48.06 71.17 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 119.148 0.886 . . . . 0.0 110.356 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -68.96 -46.79 67.24 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 120.029 -0.669 . . . . 0.0 110.021 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 56.2 mt -58.49 -37.34 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.668 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.022 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -46.99 -45.8 21.24 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 120.477 1.489 . . . . 0.0 111.103 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -75.49 -48.34 23.05 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.656 -0.818 . . . . 0.0 110.418 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -58.91 -42.33 89.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 119.361 0.982 . . . . 0.0 110.053 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -42.77 -50.0 5.65 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.865 0.757 . . . . 0.0 111.679 176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -61.48 -42.67 99.14 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.4 t -64.05 -37.34 79.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.539 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -49.23 -43.56 42.77 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 120.11 1.323 . . . . 0.0 109.474 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -63.65 -45.11 91.66 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 117.694 -1.146 . . . . 0.0 110.12 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -49.73 -59.58 3.68 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.298 1.408 . . . . 0.0 109.495 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -65.76 -26.89 67.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.377 -1.297 . . . . 0.0 111.33 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.32 -35.55 70.01 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 120.929 1.695 . . . . 0.0 110.025 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -56.26 -34.0 65.98 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.615 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -25.66 53.3 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.2 1.364 . . . . 0.0 112.207 -174.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.14 -47.76 48.56 Favored Glycine 0 C--N 1.354 1.557 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 174.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -80.84 -53.0 6.87 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt 56.81 57.23 4.84 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 48.22 36.63 7.01 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.2 -43.28 87.22 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 170.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -152.79 65.2 0.79 Allowed 'General case' 0 C--N 1.357 0.909 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 38' ' ' HIS . 26.1 tptp -147.51 80.59 1.51 Allowed 'General case' 0 C--N 1.357 0.926 0 CA-C-O 118.625 -0.703 . . . . 0.0 109.233 -174.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 37' ' ' LYS 0.263 6.6 m-70 115.56 67.88 0.0 OUTLIER 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.681 1.238 . . . . 0.0 108.578 178.23 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -75.41 84.33 2.52 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 175.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.1 mt 58.25 70.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.731 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m 54.44 38.63 29.98 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.888 -178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 . . . . . 0 C--N 1.353 0.746 0 CA-C-O 122.13 0.967 . . . . 0.0 111.267 175.466 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 CA--C 1.513 -0.448 0 CA-C-O 118.201 -0.904 . . . . 0.0 108.798 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.68 163.32 0.18 Allowed 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.401 0.546 . . . . 0.0 111.627 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -99.58 150.48 22.2 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.51 -136.64 2.99 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 117.78 -1.567 . . . . 0.0 111.803 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.1 m -148.04 -65.87 0.25 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-N 119.136 1.468 . . . . 0.0 108.814 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -68.83 -49.12 61.09 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.274 0.943 . . . . 0.0 108.74 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.3 mt -62.87 -48.91 85.81 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.7 m -57.88 -52.64 64.67 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 119.662 -0.815 . . . . 0.0 110.178 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -54.37 -50.21 68.03 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 118.785 0.72 . . . . 0.0 110.152 -178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -57.91 -41.64 83.07 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.2 t -63.23 -40.85 98.64 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.289 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.6 mm -65.86 -45.02 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.712 0 CA-C-N 119.481 1.037 . . . . 0.0 108.437 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.88 -47.37 60.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 119.529 -0.868 . . . . 0.0 108.748 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.65 -39.97 91.98 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.283 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -52.79 -37.05 59.21 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 118.337 -0.839 . . . . 0.0 111.296 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -80.12 -41.53 25.28 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 118.887 0.767 . . . . 0.0 110.709 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -56.68 -40.22 68.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 117.44 -1.267 . . . . 0.0 110.409 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.278 0.6 OUTLIER -54.32 -16.73 2.36 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 121.121 1.782 . . . . 0.0 114.175 -174.038 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.57 -50.23 4.81 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-N 120.875 1.67 . . . . 0.0 109.708 171.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -55.17 -48.59 73.54 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.167 1.349 . . . . 0.0 109.909 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.86 -45.58 30.4 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.561 0.619 . . . . 0.0 109.854 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -59.28 -41.22 88.39 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.172 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.54 -39.23 84.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 CA-C-O 117.451 -1.262 . . . . 0.0 109.172 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -44.83 -38.62 4.67 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.116 1.325 . . . . 0.0 110.112 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.2 t90 -73.44 -43.21 60.85 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.3 -1.333 . . . . 0.0 110.874 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp -53.78 -58.34 7.58 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 120.999 1.727 . . . . 0.0 107.751 175.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -29.67 66.0 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 119.664 1.12 . . . . 0.0 111.05 -173.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.34 -40.67 97.13 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 120.071 1.305 . . . . 0.0 109.21 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -61.49 -45.95 92.07 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.42 -40.69 71.8 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-O 118.061 -0.971 . . . . 0.0 108.652 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.32 -55.63 18.55 Favored Glycine 0 C--N 1.351 1.413 0 N-CA-C 109.939 -1.265 . . . . 0.0 109.939 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -51.29 -44.96 62.0 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 117.977 0.889 . . . . 0.0 109.639 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.5 tttp 55.37 49.57 16.68 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 43.04 58.95 3.09 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 119.161 -0.447 . . . . 0.0 110.643 -175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -55.93 -57.43 12.11 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.2 t90 -166.84 63.48 0.09 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.46 177.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 38' ' ' HIS 0.283 0.0 OUTLIER -124.75 36.0 4.69 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 120.414 -0.514 . . . . 0.0 109.87 169.911 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 19.3 m80 -163.55 151.11 12.79 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.79 172.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -172.69 66.99 0.03 OUTLIER 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.819 0.736 . . . . 0.0 109.073 -172.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mt 59.89 77.22 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.765 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.5 m 57.96 55.16 5.48 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 . . . . . 0 C--N 1.356 0.866 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.434 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 55.3 p90 . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.31 -79.44 0.01 OUTLIER 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.191 -0.909 . . . . 0.0 112.705 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -71.77 139.35 48.98 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.716 1.598 . . . . 0.0 108.08 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.43 145.93 5.04 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 117.61 -1.661 . . . . 0.0 109.095 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.9 m -70.64 -53.05 17.33 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 120.075 1.938 . . . . 0.0 107.914 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.86 -34.12 77.1 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.464 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.87 -52.07 65.39 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -58.02 -43.29 86.63 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 118.667 -0.682 . . . . 0.0 110.884 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 119.299 0.954 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -62.48 -42.01 99.19 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 119.185 -1.006 . . . . 0.0 110.131 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -55.77 -39.21 70.92 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.729 0.695 . . . . 0.0 110.469 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.8 mt -67.3 -46.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.2 -53.51 56.31 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 119.438 -0.905 . . . . 0.0 109.788 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 15.3 ptt? -61.13 -41.31 96.49 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.388 -173.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -50.21 -57.23 8.25 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 123.622 0.576 . . . . 0.0 109.87 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -65.2 -51.2 62.48 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 119.494 -0.882 . . . . 0.0 109.64 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.2 mt -51.17 -42.95 26.62 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 CA-C-O 117.112 -1.423 . . . . 0.0 110.236 -168.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -42.28 -44.82 3.99 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 120.196 1.362 . . . . 0.0 111.478 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -71.57 -49.49 40.03 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.467 0.576 . . . . 0.0 110.759 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -60.49 -37.18 80.22 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.384 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.51 -35.32 79.96 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.586 178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.76 -42.52 93.44 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 121.106 1.776 . . . . 0.0 108.125 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.4 t -63.41 -33.59 62.21 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.892 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -54.21 -49.17 70.01 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 120.487 1.494 . . . . 0.0 107.063 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.2 t90 -56.17 -38.79 71.38 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.602 -1.19 . . . . 0.0 110.058 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.72 -56.74 17.67 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 120.955 1.707 . . . . 0.0 110.187 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pp -64.84 -23.73 67.32 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 119.578 -0.849 . . . . 0.0 110.87 -172.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.78 -45.84 63.95 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.441 1.019 . . . . 0.0 109.103 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -69.17 -42.35 76.01 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.13 -1.414 . . . . 0.0 110.442 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -57.94 -35.68 71.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.346 1.884 . . . . 0.0 110.029 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.63 -41.27 84.52 Favored Glycine 0 C--N 1.354 1.561 0 CA-C-O 118.529 -1.151 . . . . 0.0 110.4 176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.34 -53.7 48.51 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 119.125 1.462 . . . . 0.0 107.649 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -50.77 -43.49 58.5 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -96.69 53.29 1.24 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -58.53 -47.15 85.15 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.5 t90 -156.69 71.01 0.67 Allowed 'General case' 0 C--N 1.353 0.75 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -144.88 80.21 1.62 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.657 -175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.1 m170 52.28 59.73 4.31 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.478 167.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -156.08 67.5 0.6 Allowed 'General case' 0 C--N 1.351 0.658 0 C-N-CA 119.964 -0.694 . . . . 0.0 109.654 -178.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 35.6 mt 63.56 85.82 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.315 0.5 OUTLIER 57.64 24.57 10.67 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 . . . . . 0 C--N 1.355 0.821 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.031 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 . . . . . 0 CA--C 1.512 -0.486 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 56.16 -176.31 0.05 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.903 -0.57 . . . . 0.0 110.487 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -60.38 143.03 54.09 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 170.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.17 -39.22 1.76 Allowed Glycine 0 C--N 1.353 1.476 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 m -59.35 -49.21 78.69 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 118.846 1.323 . . . . 0.0 108.661 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -59.29 -46.57 88.2 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 119.667 -0.813 . . . . 0.0 109.836 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 mm -57.01 -46.88 84.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.1 t -57.66 -53.95 52.42 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.9 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -53.34 -52.89 57.73 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 119.469 1.031 . . . . 0.0 109.663 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -59.63 -36.46 76.4 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 118.039 -0.982 . . . . 0.0 111.58 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 t -66.22 -38.91 89.06 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.905 1.23 . . . . 0.0 109.826 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.7 mm -67.33 -45.49 85.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.53 81.74 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.601 -0.84 . . . . 0.0 108.916 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.4 mmt -59.39 -49.63 77.06 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 119.088 0.858 . . . . 0.0 109.675 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -55.55 -49.36 72.88 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.904 -0.718 . . . . 0.0 110.144 -177.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -45.28 84.88 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.792 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.8 mt -58.25 -44.45 88.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-O 117.696 -1.145 . . . . 0.0 109.673 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -41.54 -50.05 4.02 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 120.099 1.318 . . . . 0.0 112.728 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -65.66 -50.21 65.81 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.675 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -51.63 -42.58 62.14 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.846 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -59.72 -49.62 77.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 118.724 0.693 . . . . 0.0 110.063 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -60.48 -44.29 96.09 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 119.373 -0.931 . . . . 0.0 110.282 178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.84 -35.6 65.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 118.65 -0.691 . . . . 0.0 109.382 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -58.64 -33.79 70.46 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.564 1.075 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -60.41 -40.23 90.27 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 120.737 1.608 . . . . 0.0 108.586 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.96 -50.74 67.43 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 117.776 -1.106 . . . . 0.0 109.096 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pp -60.53 -33.06 72.11 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.635 1.561 . . . . 0.0 109.441 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.0 95.18 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.641 -0.824 . . . . 0.0 109.539 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -57.44 -59.53 5.01 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 118.152 -0.927 . . . . 0.0 109.259 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -24.64 66.29 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.92 1.236 . . . . 0.0 110.614 -176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.51 -53.06 40.88 Favored Glycine 0 C--N 1.355 1.592 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 172.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.73 -70.21 0.47 Allowed 'General case' 0 C--N 1.355 0.822 0 CA-C-N 118.263 1.031 . . . . 0.0 108.244 175.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? 81.35 -44.03 0.19 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 118.062 -0.97 . . . . 0.0 113.449 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -161.87 -47.66 0.04 OUTLIER 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.334 1.424 . . . . 0.0 113.721 -171.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -45.61 -41.83 10.54 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 120.973 1.715 . . . . 0.0 109.909 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -149.03 59.81 1.05 Allowed 'General case' 0 C--N 1.355 0.842 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.069 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -113.38 50.07 0.92 Allowed 'General case' 0 C--N 1.356 0.848 0 N-CA-C 106.234 -1.765 . . . . 0.0 106.234 170.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -176.54 143.78 0.49 Allowed 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.539 -1.22 . . . . 0.0 110.284 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.1 m-80 -148.99 53.68 0.98 Allowed 'General case' 0 C--N 1.354 0.762 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 176.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt 56.06 72.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.257 0.6 OUTLIER 100.75 -52.35 0.0 OUTLIER 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 -177.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 . . . . . 0 CA--C 1.502 -0.9 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -172.4 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.0 m-30 . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.8 50.85 17.78 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.237 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -57.36 -53.38 58.75 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.393 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -25.06 85.52 0.0 OUTLIER Glycine 0 C--N 1.355 1.586 0 N-CA-C 115.846 1.098 . . . . 0.0 115.846 -172.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.2 m -152.95 -66.63 0.16 Allowed 'General case' 0 C--N 1.356 0.865 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -67.13 -46.71 73.31 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.291 0.951 . . . . 0.0 108.764 173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.33 -47.76 91.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.692 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 m -55.86 -51.77 66.39 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.506 -0.878 . . . . 0.0 109.387 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -49.96 -51.08 44.18 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 118.975 0.807 . . . . 0.0 110.53 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -58.33 -45.6 87.82 Favored 'General case' 0 C--N 1.351 0.635 0 C-N-CA 119.818 -0.753 . . . . 0.0 109.548 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -56.45 -38.53 71.78 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.965 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.13 -46.84 94.96 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 119.661 1.119 . . . . 0.0 108.229 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.1 -40.84 74.29 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.133 -1.027 . . . . 0.0 110.178 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 90.3 mmm -61.11 -40.27 93.11 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.373 0.988 . . . . 0.0 110.227 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -51.17 -46.54 62.1 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 119.339 0.972 . . . . 0.0 110.807 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -82.02 -40.08 22.6 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.39 -176.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.7 mt -59.75 -41.76 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.66 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -55.45 -52.22 64.34 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.518 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.8 -48.27 64.02 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.068 -176.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -61.64 -43.7 98.37 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.553 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -55.41 -38.9 69.55 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 118.856 0.753 . . . . 0.0 110.646 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.33 -51.06 71.57 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 106.136 -1.802 . . . . 0.0 106.136 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.95 -38.84 68.85 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 CA-C-O 118.043 -0.98 . . . . 0.0 109.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -51.98 -40.83 61.53 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 120.247 1.385 . . . . 0.0 109.79 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -62.7 -41.35 99.09 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 118.2 -0.905 . . . . 0.0 109.506 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.24 -56.48 21.32 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.312 1.414 . . . . 0.0 109.939 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 pp -67.69 -15.94 63.89 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.545 -1.217 . . . . 0.0 112.237 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.49 62.75 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.552 1.524 . . . . 0.0 109.066 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -69.74 87.76 0.52 Allowed 'General case' 0 C--N 1.356 0.866 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HB2' ' HZ2' ' A' ' 30' ' ' LYS . 0.0 OUTLIER 162.1 -39.1 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.191 176.335 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -156.98 39.13 0.56 Allowed Glycine 0 C--N 1.357 1.736 0 CA-C-O 117.872 -1.516 . . . . 0.0 113.201 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -78.49 -55.73 4.98 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 173.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -18.41 19.63 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 116.699 -1.62 . . . . 0.0 111.765 177.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.84 50.42 1.08 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-N 120.747 1.612 . . . . 0.0 106.778 172.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -84.34 -50.25 7.99 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -145.09 49.84 1.26 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -127.7 44.57 2.9 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 -174.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -172.98 72.59 0.03 OUTLIER 'General case' 0 C--N 1.353 0.735 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -149.24 79.42 1.4 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.858 -0.591 . . . . 0.0 109.836 -171.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 35.9 mt 55.47 75.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 175.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.9 m 62.38 67.18 0.74 Allowed 'General case' 0 C--N 1.353 0.732 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 . . . . . 0 C--N 1.357 0.913 0 CA-C-O 121.707 0.765 . . . . 0.0 112.871 174.561 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.1 p90 . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 117.155 -1.402 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.67 66.58 0.79 Allowed 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.568 1.077 . . . . 0.0 109.597 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -44.17 -58.78 2.67 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.124 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.43 91.03 0.01 OUTLIER Glycine 0 C--N 1.356 1.649 0 CA-C-O 117.476 -1.735 . . . . 0.0 110.562 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.5 m -45.0 -42.64 8.47 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.85 2.325 . . . . 0.0 111.209 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -63.39 -47.19 83.04 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 118.314 -0.851 . . . . 0.0 109.873 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -56.71 -55.96 16.84 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.6 m -50.39 -44.54 54.95 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.266 0.939 . . . . 0.0 110.74 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -57.72 -51.2 70.51 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 118.854 0.752 . . . . 0.0 109.794 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -63.2 -44.9 94.05 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.5 t -50.56 -46.57 57.69 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.846 0.748 . . . . 0.0 109.513 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.49 -48.17 89.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.22 3.83 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.641 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.45 -36.89 74.36 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.491 1.042 . . . . 0.0 110.2 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -62.45 -59.01 5.57 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 119.619 -0.832 . . . . 0.0 109.181 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -52.54 -46.86 66.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.931 -0.708 . . . . 0.0 109.626 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.04 -35.54 73.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.586 -1.674 . . . . 0.0 110.768 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -48.19 -50.32 29.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 121.058 1.754 . . . . 0.0 110.082 -175.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -62.69 -47.4 83.81 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.247 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -60.22 -36.59 78.05 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.446 -0.902 . . . . 0.0 111.117 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -62.93 -43.12 99.66 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.7 1.136 . . . . 0.0 109.632 -177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -57.82 -41.06 81.46 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.69 175.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.03 -34.64 71.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.907 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.0 m-20 -49.88 -36.74 28.3 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.133 1.333 . . . . 0.0 111.047 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -67.25 -41.78 85.04 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 119.328 0.967 . . . . 0.0 110.21 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.82 -58.7 7.36 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 pp -58.62 -35.36 72.36 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.799 -1.16 . . . . 0.0 108.915 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.99 -35.58 59.36 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.324 1.42 . . . . 0.0 111.145 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -51.29 -34.65 34.06 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.142 0.883 . . . . 0.0 111.009 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -54.32 -25.05 21.7 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 119.541 1.064 . . . . 0.0 112.965 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -54.17 -64.32 4.38 Favored Glycine 0 C--N 1.356 1.647 0 N-CA-C 109.957 -1.257 . . . . 0.0 109.957 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.92 -60.14 2.45 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 tttt 60.2 48.73 7.93 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 -170.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' A' ' 35' ' ' ASP . 58.6 m-80 -159.5 -58.2 0.06 Allowed 'General case' 0 C--N 1.354 0.803 0 CA-C-O 116.728 -1.606 . . . . 0.0 112.477 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 34' ' ' ASN . 10.3 t70 -30.54 -47.69 0.09 Allowed 'General case' 0 C--N 1.359 0.992 0 CA-C-N 119.747 1.158 . . . . 0.0 111.84 -172.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t90 -153.04 60.52 0.78 Allowed 'General case' 0 C--N 1.35 0.614 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 173.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -134.57 73.43 1.49 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.8 m170 53.89 51.45 14.78 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 120.176 -0.61 . . . . 0.0 109.379 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -106.04 50.59 0.77 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 mt 51.91 45.43 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 m -155.77 63.94 0.59 Allowed 'General case' 0 C--N 1.356 0.883 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 . . . . . 0 C--N 1.355 0.827 0 CA-C-N 119.598 1.09 . . . . 0.0 110.719 -177.56 . . . . . . . . 0 0 . 1 stop_ save_