data_6nbn_residue ############################ # Computer software used # ############################ 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 6nbn _Structure_validation_residue.Date_analyzed 2018-12-14 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 120.657 0.265 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.8 p -82.16 -179.95 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.648 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -60.67 -35.76 77.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.991 0.424 . . . . 0.0 111.077 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -67.05 -37.28 83.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.245 0.545 . . . . 0.0 109.639 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 61.4 tp -63.92 -36.19 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.183 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -67.96 -21.44 65.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.073 0.463 . . . . 0.0 110.485 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 93.4 mtt180 -80.56 -55.29 4.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.28 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.02 -45.57 79.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.783 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.78 -36.19 83.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.077 -175.47 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.1 m -63.72 -48.99 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.9 mm-40 -63.67 -37.85 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.7 m -65.57 -35.73 81.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -52.98 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.664 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -67.18 -21.62 65.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.057 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.3 m -89.76 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.231 -0.293 . . . . 0.0 111.255 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.0 12.15 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 55.4 35.26 24.66 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -66.72 121.75 78.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.61 138.61 81.09 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.817 2.345 . . . . 0.0 111.776 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.02 -32.78 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.261 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.13 -46.04 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.214 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -63.17 -38.49 91.39 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.83 -39.1 80.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.107 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 19.7 mm-40 -59.55 -40.47 87.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.358 175.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.84 -49.67 75.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.115 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -57.45 -33.19 67.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.515 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.448 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -98.06 22.25 9.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.0 m95 50.69 47.29 24.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.311 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -119.81 109.32 15.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.852 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -113.96 105.21 54.63 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.087 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.62 149.68 68.1 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.42 83.08 5.48 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.361 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.708 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -149.34 150.14 31.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.673 -175.431 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.906 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.4 m -64.46 -57.14 10.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 m -56.43 -33.87 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.284 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.708 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.1 mtt -66.17 -49.83 66.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.46 -29.89 70.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.415 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.8 -50.03 75.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.296 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.72 -38.93 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.915 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.371 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 23.7 t -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.194 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.94 -48.22 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.065 0.46 . . . . 0.0 110.976 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -64.57 -23.73 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.984 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -80.56 -41.91 23.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.234 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 1.4 mptm? -73.55 -18.09 61.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.1 mtp -89.33 -0.55 57.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.519 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 55.88 48.94 16.98 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mt -121.9 -16.13 7.67 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.119 -175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -140.79 142.32 34.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.6 t70 -125.33 146.66 49.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.698 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.62 -12.42 60.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.474 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.432 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 18.5 m -101.1 -63.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.582 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -77.0 -15.45 59.63 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.82 -138.12 19.69 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.863 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.28 124.3 11.95 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.351 2.034 . . . . 0.0 112.064 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.4 mt -82.96 91.41 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 69' ' ' VAL . 79.4 t -48.9 -46.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.378 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.03 -56.36 22.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.491 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.24 -32.59 74.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.355 . . . . 0.0 110.441 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.1 -49.38 77.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.04 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 65' ' ' VAL . 0.9 OUTLIER -76.04 -29.93 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.257 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.65 -28.77 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.141 0.496 . . . . 0.0 110.76 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -89.46 -59.59 2.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.861 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 74' ' ' HIS . 91.6 mt -61.15 -42.79 99.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.18 33.2 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.466 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.3 t-80 -71.64 87.6 0.94 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.64 16.76 25.67 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.534 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -144.06 162.67 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 81' ' ' VAL . 31.5 t70 -65.13 117.27 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.332 0.587 . . . . 0.0 111.142 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.42 74.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.301 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -65.38 -44.96 85.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 28.9 tt0 -65.16 -44.05 89.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.285 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 77' ' ' ASP . 85.0 t -56.98 -46.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.374 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -53.83 -43.61 69.56 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 80' ' ' GLU . 17.6 m -60.43 -54.13 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 25.3 mt-10 -58.6 -40.42 83.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.558 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.427 ' O ' HG21 ' A' ' 89' ' ' VAL . 33.1 t -59.88 -48.87 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.716 0.293 . . . . 0.0 111.055 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.6 mt -59.15 -28.76 66.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.559 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.97 -6.63 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.722 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m -118.23 -6.7 10.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.094 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 85' ' ' VAL . 86.9 t -81.47 125.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.933 0.397 . . . . 0.0 110.042 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -138.82 -177.02 4.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.843 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -100.4 152.77 19.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.048 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -80.14 64.02 4.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.7 t -73.62 -19.65 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.588 0.709 . . . . 0.0 110.604 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.47 -18.63 48.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.303 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.2 m120 66.08 19.43 11.16 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.071 -0.968 . . . . 0.0 113.473 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.55 127.13 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 171.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.73 76.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.021 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 86.1 m -62.76 -39.44 94.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.053 0.454 . . . . 0.0 110.199 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -78.6 -27.24 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -64.65 -55.12 22.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 110.034 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.1 79.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.571 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.438 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.7 t80 -68.43 -33.0 73.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.943 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.57 -45.52 94.49 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.336 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.66 -47.93 76.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -63.17 -41.15 99.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.3 t -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.106 0.479 . . . . 0.0 111.132 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.8 -48.24 32.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.66 -27.98 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.731 0.3 . . . . 0.0 111.46 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.19 -14.57 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.889 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.1 -32.54 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.677 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -139.37 69.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.287 -174.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -85.31 -29.72 24.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.871 0.367 . . . . 0.0 110.755 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.8 t -63.73 -36.71 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.131 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 38.2 tp -65.75 -35.34 80.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.392 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.56 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.15 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.19 -36.9 80.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.846 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.33 65.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.1 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.44 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 96.7 p -62.64 -38.18 89.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.337 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.0 pt -90.41 -3.73 10.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.992 0.425 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.0 tttp . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -178.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 p -86.22 -177.62 6.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -43.96 72.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.141 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.53 -47.02 83.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.269 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 13' ' ' ARG . 10.3 m-20 -67.65 -39.76 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 0.0 110.497 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.1 tp -62.36 -34.19 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.014 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.91 -35.05 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.586 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 55.7 ttt180 -59.82 -53.75 54.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.939 176.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -64.93 -29.69 70.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.789 -172.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 34.9 mtt180 -60.4 -42.12 95.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.625 176.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -64.61 -46.68 81.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.384 -176.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.64 -37.76 88.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.653 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -77.46 -30.92 53.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.29 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.14 -51.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.117 0.484 . . . . 0.0 110.406 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 p -66.28 -37.33 85.2 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.581 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -71.68 -48.27 48.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.09 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.28 10.75 16.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.657 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 55.35 33.1 20.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.821 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.03 124.95 85.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.808 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -63.68 143.99 88.28 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.859 2.372 . . . . 0.0 111.755 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.848 -176.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -54.04 -50.28 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 36.9 m-85 -60.83 -36.1 78.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.537 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.52 -44.63 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.235 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.6 mt-10 -61.98 -32.18 72.6 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.18 0.514 . . . . 0.0 110.462 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 66.4 mttm -66.96 -54.52 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.554 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 13.6 m-85 -57.14 -34.09 68.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.273 -176.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -59.88 -37.63 79.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -97.44 26.75 4.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.51 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.6 m95 55.66 40.27 30.93 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 31' ' ' LYS . 46.3 mt-10 -106.06 111.53 24.2 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -122.27 83.01 45.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.457 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -59.5 149.0 84.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.844 2.362 . . . . 0.0 112.401 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -76.05 79.11 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.796 0.808 . . . . 0.0 109.747 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 44' ' ' MET . 15.3 t70 -141.34 144.06 34.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.026 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.81 -25.89 66.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.62 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 m -64.63 -56.05 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 110.446 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.8 m -56.34 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.206 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.612 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -65.32 -53.24 46.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.7 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.09 -30.85 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.675 0.274 . . . . 0.0 110.282 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -59.67 -49.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.28 -38.78 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -62.16 -53.56 53.66 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.712 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.3 -49.94 68.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.61 -45.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.4 m-30 -63.92 -25.9 68.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -84.01 -36.36 23.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.069 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.4 mmm -88.23 0.59 55.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.919 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 53.45 53.86 11.0 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.321 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 mt -127.11 -17.42 4.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.234 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 81.4 t80 -140.59 134.99 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 23.5 t70 -120.53 144.62 47.95 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.0 -16.76 61.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.026 0.441 . . . . 0.0 111.371 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.431 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 25.3 m -97.9 -64.03 1.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.181 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -70.78 -24.24 62.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.626 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.37 -150.03 21.65 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.774 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.67 119.72 7.16 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.724 2.283 . . . . 0.0 111.53 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.58 87.17 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' O ' HG21 ' A' ' 69' ' ' VAL . 76.6 t -48.77 -45.5 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.493 -174.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.61 -50.44 72.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.615 0.245 . . . . 0.0 111.32 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -65.49 -34.49 78.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.271 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.09 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.307 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 65' ' ' VAL . 65.7 t -69.0 -36.54 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -66.33 -34.07 77.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.469 . . . . 0.0 111.109 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.416 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 25.2 tp60 -82.24 -59.56 2.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.932 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.67 -53.98 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -85.45 32.74 0.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -68.62 108.05 3.2 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.336 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.59 36.0 75.55 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -148.26 170.34 18.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 81' ' ' VAL . 11.6 m-20 -63.44 92.3 0.06 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.954 0.406 . . . . 0.0 111.368 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.14 74.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.428 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.12 -47.88 80.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.322 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.83 -45.44 82.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 77' ' ' ASP . 56.7 t -58.41 -51.95 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.553 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -54.97 -43.14 73.22 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.015 0.436 . . . . 0.0 110.685 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -60.24 -51.76 68.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.251 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -60.89 -40.36 92.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.881 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.491 ' O ' HG21 ' A' ' 89' ' ' VAL . 31.7 t -56.8 -48.35 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.2 mt -58.73 -29.53 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.219 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.97 -22.91 66.5 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.778 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -105.31 -10.19 17.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.925 -175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 85' ' ' VAL . 63.9 t -80.41 131.19 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.026 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.405 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 14.3 t70 -155.25 169.28 24.54 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -75.93 158.3 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.17 0.51 . . . . 0.0 111.276 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -73.87 71.77 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.915 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 p -87.93 -1.97 58.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.544 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.16 -21.72 29.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 62.27 19.05 10.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 122.026 0.917 . . . . 0.0 110.462 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -150.61 117.41 5.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.77 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.936 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.35 -44.62 95.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.792 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.504 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 23.3 t-80 -82.84 -23.83 33.57 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.568 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -66.87 -54.55 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.038 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.95 86.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.5 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.09 -31.71 72.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.615 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 90' ' ' ASP . 6.4 ttm180 -69.25 -42.2 75.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.33 -45.32 95.33 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.72 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -67.44 -45.26 76.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -64.79 -40.8 95.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.12 -41.39 99.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.27 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -76.05 -46.66 28.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.509 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.8 -21.55 66.5 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.702 0.286 . . . . 0.0 111.263 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.42 -35.92 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.802 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -119.72 -17.03 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.914 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -139.39 70.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.37 -32.43 17.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.2 m -63.24 -33.58 75.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.747 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.85 -34.74 77.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.331 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.21 -43.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.992 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -62.25 -39.88 94.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.263 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.276 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.416 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 27.3 t -56.6 -47.48 79.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.548 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 45.4 pt -94.81 2.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.417 . . . . 0.0 111.377 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 -178.767 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -81.42 -176.5 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.45 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.4 m -55.83 -45.08 78.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.78 -42.32 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.95 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.72 -40.01 91.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 0.0 109.967 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.8 -32.45 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -64.31 -37.41 87.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.536 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.629 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 47.0 ttt180 -60.31 -62.23 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.329 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -58.63 -39.13 79.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.693 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.889 0.376 . . . . 0.0 110.099 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -64.58 -50.41 67.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.14 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 14.8 mt-10 -60.81 -38.2 84.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.243 -178.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 98.0 m -70.26 -35.28 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.857 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.98 -52.93 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.269 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 t -65.33 -38.17 89.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.18 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 t -69.27 -49.19 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 0.0 111.128 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.38 7.31 23.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 55.93 42.74 28.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.407 0.622 . . . . 0.0 110.637 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mm -71.44 118.92 70.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.05 145.21 98.94 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.405 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.98 -30.58 61.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.008 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -53.49 -55.24 27.01 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.0 m-85 -58.78 -39.9 82.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.239 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -56.51 -43.06 77.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.72 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -62.68 -42.95 99.9 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.81 -47.16 87.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.5 m-85 -57.95 -35.28 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.59 -35.64 81.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.56 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -89.3 21.51 3.26 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.868 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.3 m95 53.99 45.26 27.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.017 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -121.51 111.01 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -115.79 97.98 50.08 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.88 145.75 71.49 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.824 2.35 . . . . 0.0 112.758 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.44 78.58 7.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.678 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' A' ' 44' ' ' MET . 2.1 p30 -155.51 167.99 28.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.147 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -49.98 -46.47 52.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -171.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -56.44 15.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.048 0.451 . . . . 0.0 111.587 -175.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.6 m -62.43 -34.45 76.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.627 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.8 mtt -65.52 -49.28 69.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 97.1 m -69.17 -29.21 67.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.84 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -60.39 -51.62 68.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.442 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.4 mm -60.24 -39.16 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.562 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -56.56 -55.64 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.591 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.1 t -57.82 -46.62 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.677 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.56 -46.09 95.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.415 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.953 -177.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -80.32 -40.71 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 47.4 mttm -66.51 -28.29 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.515 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 49.6 mtm -90.71 8.47 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 52.83 47.22 25.14 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.787 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.29 -14.87 9.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.375 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 71.4 t80 -142.0 139.53 32.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.362 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -122.92 142.85 50.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.12 -18.2 65.11 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -106.43 -62.01 1.45 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.806 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.09 -13.03 60.44 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.04 -146.28 31.94 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.402 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.48 124.53 16.33 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 111.973 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.4 mt -86.45 91.77 8.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.63 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 69' ' ' VAL . 87.5 t -51.21 -45.61 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.692 -1.14 . . . . 0.0 113.15 -171.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.92 -55.46 32.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.202 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.12 -33.53 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.356 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.76 -47.24 86.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.314 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 65' ' ' VAL . 81.5 t -69.13 -43.44 81.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.882 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -62.22 -26.69 68.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.003 0.43 . . . . 0.0 110.939 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 5.5 tp60 -90.25 -60.64 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.455 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 74' ' ' HIS . 89.1 mt -61.1 -42.86 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.162 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 34.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 t-160 -64.07 89.01 0.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.0 27.21 38.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.222 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -143.93 170.44 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.86 -0.2 . . . . 0.0 111.152 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' VAL . 13.4 m-20 -59.91 104.6 0.31 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.782 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.76 78.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.611 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 111.243 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.67 -44.85 89.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.963 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 77' ' ' ASP . 75.7 t -57.93 -48.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.139 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -56.76 -45.09 82.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -61.34 -50.81 71.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.005 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.61 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.537 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.494 ' O ' HG21 ' A' ' 89' ' ' VAL . 24.6 t -58.24 -49.04 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 174.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.52 -29.25 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.907 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -69.67 -18.76 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.644 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 34.2 m -104.11 -3.86 23.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.631 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.494 HG21 ' O ' ' A' ' 85' ' ' VAL . 86.3 t -88.24 107.18 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.748 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -115.52 168.24 10.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.722 175.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -81.21 160.25 24.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.454 . . . . 0.0 110.548 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.458 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 54.3 t30 -80.06 70.46 6.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.578 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.5 p -83.61 -15.83 47.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.647 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.48 -19.18 46.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.818 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 63.29 24.3 14.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.404 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.59 120.83 15.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.422 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.67 70.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -171.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.2 m -62.58 -43.61 98.37 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.701 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -75.41 -28.51 59.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.426 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.458 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 10.5 t90 -66.95 -55.06 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.371 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.36 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.703 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.467 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 81.4 t80 -65.82 -32.28 73.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.906 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.7 -39.54 70.13 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.439 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.4 -44.23 98.31 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.294 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.95 -47.59 68.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.937 0.398 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.137 -177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.15 -43.41 98.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -77.43 -48.54 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.405 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -60.68 -26.8 67.36 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.883 0.373 . . . . 0.0 111.184 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.73 -28.18 69.41 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -109.44 -34.81 6.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -138.06 72.82 1.42 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -171.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.0 tp -89.81 -30.16 18.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.12 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 m -63.82 -35.03 79.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.893 0.378 . . . . 0.0 110.535 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.1 tp -64.1 -36.68 84.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.941 176.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.9 -43.19 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.478 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.18 -44.45 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.807 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.72 73.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.355 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 97.3 p -59.56 -39.39 83.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.791 -176.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.3 pt -89.44 -2.14 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.422 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 tttm . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.75 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.4 p -78.21 176.03 9.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.536 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m -55.62 -38.52 69.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.476 . . . . 0.0 110.909 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.67 -40.44 84.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.906 -178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.29 -40.12 95.31 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.22 -35.07 79.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.185 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.19 -33.02 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.0 tpm_? -73.15 -41.07 64.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -67.4 -34.68 77.77 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.003 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -40.79 92.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.568 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.14 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.981 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.65 -49.32 75.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 -32.7 69.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.597 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.7 -51.24 64.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.746 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 t -66.58 -37.43 84.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.476 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -75.16 -46.66 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.739 0.305 . . . . 0.0 111.602 -175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.8 mt -87.59 13.45 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 53.48 37.22 25.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.513 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.39 119.8 68.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.786 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.62 142.76 99.36 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.077 2.518 . . . . 0.0 112.136 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.44 -33.7 60.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.694 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.32 -51.67 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.544 0.527 . . . . 0.0 111.585 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -61.26 -36.59 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.441 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.66 -40.93 88.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.6 mt-10 -63.12 -35.16 79.34 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.1 0.476 . . . . 0.0 110.347 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -68.58 -48.59 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.157 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -59.48 -31.33 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.03 -24.31 64.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.931 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -117.32 27.28 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 0.0 111.241 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.3 m95 54.68 45.83 25.96 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.117 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -116.57 109.64 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -114.18 97.19 44.84 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -59.42 142.94 99.76 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.326 2.017 . . . . 0.0 112.294 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -81.07 83.09 6.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.575 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.6 t70 -149.84 149.81 31.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.047 -175.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.87 -42.77 37.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.421 0.451 . . . . 0.0 111.448 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.2 m -51.84 -57.71 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.416 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -59.83 -34.73 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.33 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -69.36 -48.68 60.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.162 -174.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.4 m -66.55 -28.89 68.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.94 0.4 . . . . 0.0 110.162 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -61.32 -45.98 92.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.329 175.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.4 -44.26 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.052 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 4.4 ptmm? -66.6 -41.26 88.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.695 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.474 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 13.2 t -59.21 -50.65 73.2 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.9 -46.37 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.302 0.572 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -63.22 -23.86 67.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.09 -39.02 20.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 5.4 mptp? -66.76 -23.74 66.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.025 0.44 . . . . 0.0 110.489 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.06 -0.75 57.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.278 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 57.16 52.63 8.74 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.398 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD13 ' HG2' ' A' ' 71' ' ' GLN . 6.9 mt -125.84 -20.11 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.654 -174.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.2 t80 -136.91 138.98 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.009 0.433 . . . . 0.0 110.188 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.15 137.12 53.18 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.37 -18.06 64.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 m -99.68 -61.55 1.35 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.457 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -79.34 -7.99 58.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.977 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.72 -153.38 36.52 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.928 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.46 123.32 13.34 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.194 2.596 . . . . 0.0 111.855 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.28 93.04 8.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.1 t -52.14 -44.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.752 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 22.1 t70 -57.89 -54.22 49.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 -177.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.486 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.61 -42.62 99.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 65' ' ' VAL . 67.1 t -69.4 -44.39 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.65 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.414 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 53.5 m-70 -63.09 -23.64 67.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 0.0 111.284 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.48 ' HG2' HD13 ' A' ' 56' ' ' LEU . 28.0 tp60 -89.76 -60.39 1.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.742 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 74' ' ' HIS . 92.5 mt -67.67 -41.45 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.83 33.07 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.47 ' H ' ' C ' ' A' ' 72' ' ' LEU . 38.9 t-80 -72.42 81.94 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.72 27.75 7.36 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.518 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -148.27 163.05 38.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.598 0.237 . . . . 0.0 110.803 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.6 111.87 2.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.943 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.43 74.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.124 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.05 -44.54 87.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 111.119 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 32.9 tt0 -67.08 -45.63 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.2 t -58.04 -48.74 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.634 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.86 -43.44 69.53 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.103 0.478 . . . . 0.0 110.519 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -62.84 -52.96 61.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.177 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 18.9 mt-10 -57.87 -40.71 80.88 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.567 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.492 ' O ' HG22 ' A' ' 89' ' ' VAL . 37.1 t -59.87 -51.55 71.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.624 0.25 . . . . 0.0 111.063 176.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.9 mt -56.55 -31.9 64.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.851 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.07 -15.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.2 m -108.64 -6.2 16.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 85' ' ' VAL . 94.8 t -80.15 100.32 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.438 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -103.62 171.81 7.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.541 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -93.45 158.59 15.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -77.99 71.34 4.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -84.84 -20.93 30.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.572 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -78.76 -15.87 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.62 27.86 17.57 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.971 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -146.27 117.83 8.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.029 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.28 71.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.042 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.516 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 68.5 m -66.04 -46.12 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.881 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -76.52 -26.98 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.368 . . . . 0.0 110.027 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -67.21 -57.08 7.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.7 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.35 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.629 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.448 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 70.1 t80 -68.5 -32.93 73.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.554 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -67.7 -43.22 80.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.178 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.32 -48.91 79.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.04 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -63.83 -46.27 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 59.4 tttt -65.03 -42.81 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -59.13 -42.76 91.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.403 0.621 . . . . 0.0 110.762 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -73.9 -53.58 9.84 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.84 -174.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.67 -27.54 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.4 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 106' ' ' LYS . 4.4 tmtm? -60.29 -37.29 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.271 0.557 . . . . 0.0 109.75 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -106.98 -25.09 11.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.907 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -140.67 69.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.564 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.8 tp -88.32 -27.97 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.135 0.493 . . . . 0.0 110.51 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 m -61.6 -39.25 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.696 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.3 tp -65.01 -35.08 80.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.8 -39.86 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.33 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.66 -42.44 91.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.16 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.33 66.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.376 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.6 t -58.18 -46.86 85.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.505 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -90.91 -0.54 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.515 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.7 tttm . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.192 0.52 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -82.45 -176.44 6.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -54.91 -48.41 73.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.407 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.0 -38.99 84.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.788 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -66.81 -43.6 83.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.239 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.688 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.6 tp -59.98 -36.63 77.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.383 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.4 -40.35 68.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.611 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.27 -41.71 89.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.307 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -71.57 -39.02 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.104 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.688 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.0 mtp180 -60.83 -49.92 75.51 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -59.83 -51.42 69.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.891 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.03 -45.09 71.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.779 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.43 -35.62 78.07 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.758 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.02 -54.24 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.008 0.433 . . . . 0.0 110.547 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.1 m -64.94 -28.93 69.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.062 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -82.53 -44.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.64 0.257 . . . . 0.0 111.267 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -83.67 8.04 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.04 36.14 25.79 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.906 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.6 mm -68.57 119.54 69.31 Favored Pre-proline 0 N--CA 1.453 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.197 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.83 142.22 98.73 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.991 2.46 . . . . 0.0 112.482 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.59 -33.0 59.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.744 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.0 -47.48 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.406 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -65.9 -34.17 77.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.594 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.4 t -60.24 -43.51 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 15.2 mt-10 -61.06 -32.08 71.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.004 0.431 . . . . 0.0 110.659 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -65.98 -53.33 40.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.288 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.34 -31.38 67.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.336 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -56.88 -36.64 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.93 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -105.03 29.23 6.51 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.152 0.501 . . . . 0.0 110.703 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 78.7 m95 50.71 50.28 19.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.105 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -114.93 111.22 20.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.956 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -114.27 99.23 50.58 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.554 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.18 143.3 83.52 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.313 2.009 . . . . 0.0 111.974 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.67 80.65 8.72 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -152.44 142.43 22.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.333 -171.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.19 -26.78 12.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.001 0.813 . . . . 0.0 112.542 -169.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -57.8 -55.53 33.69 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.17 0.509 . . . . 0.0 110.822 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m -62.16 -35.38 78.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.29 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -57.71 10.96 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.784 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.9 m -64.66 -32.89 74.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.771 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.02 -48.97 79.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.437 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.69 -38.35 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.939 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.89 -49.73 73.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.268 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 t -56.61 -49.29 75.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.125 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.34 -47.59 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 111.139 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.7 m-30 -63.26 -27.68 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.802 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -78.4 -37.72 43.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.61 -27.93 68.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.3 mtp -92.28 6.91 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.774 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER 50.75 47.36 24.63 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.22 -176.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 mt -117.59 -20.51 8.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.477 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 63.9 t80 -139.38 138.54 36.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.771 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -116.31 138.36 51.38 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.14 -21.37 66.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.978 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.8 m -99.46 -63.17 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.99 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.72 -14.23 60.33 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 -152.45 25.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.599 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.52 123.86 13.56 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.993 2.462 . . . . 0.0 111.917 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -85.63 90.25 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.423 ' O ' HG21 ' A' ' 69' ' ' VAL . 81.9 t -49.15 -46.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 114.779 -1.101 . . . . 0.0 112.765 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.16 -50.39 73.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.58 0.229 . . . . 0.0 111.384 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.24 -34.91 79.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.314 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.95 -44.92 94.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.076 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 65' ' ' VAL . 92.0 t -67.83 -44.37 85.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 176.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -63.31 -25.67 68.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.922 0.391 . . . . 0.0 111.279 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -90.42 -60.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.714 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 81.5 mt -62.2 -43.68 98.28 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.387 -175.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.56 33.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.0 t-80 -70.15 87.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.995 0.426 . . . . 0.0 110.171 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.53 11.03 49.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.332 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -131.94 168.37 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.467 0.175 . . . . 0.0 110.717 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.79 115.68 6.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.369 0.604 . . . . 0.0 110.991 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.45 77.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.43 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.79 -43.43 88.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.132 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.42 -49.31 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.188 0.518 . . . . 0.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.53 -49.63 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.475 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -53.01 -42.01 65.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 110.853 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -62.95 -55.14 28.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.482 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.31 -33.62 76.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.908 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 89' ' ' VAL . 26.0 t -60.63 -50.3 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.642 0.258 . . . . 0.0 110.818 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 mt -56.78 -32.37 65.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.871 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -70.34 -18.64 63.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.527 . . . . 0.0 110.718 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.7 m -103.79 -9.57 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.2 t -73.25 99.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.75 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -104.71 174.08 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.14 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -101.44 159.73 15.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.446 . . . . 0.0 110.587 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.482 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.9 t30 -78.11 65.0 3.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.428 0.633 . . . . 0.0 110.173 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.9 p -68.12 -36.21 79.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.57 -176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.18 -5.71 58.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.365 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 95' ' ' ASN . 0.9 OUTLIER 65.97 37.91 5.17 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.647 174.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.62 121.97 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 173.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.67 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.249 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.69 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.174 0.512 . . . . 0.0 110.082 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -75.47 -27.61 58.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.556 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.482 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.1 t90 -73.66 -52.71 12.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.772 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.03 90.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -66.89 -29.12 68.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.433 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -67.14 -44.26 80.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.63 -46.55 93.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.92 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.7 -49.37 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.75 -44.76 90.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.474 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.61 -44.15 97.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.431 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -75.37 -46.74 31.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.916 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.85 -14.77 62.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.765 0.317 . . . . 0.0 111.535 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -68.02 -23.37 64.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -127.67 -30.96 2.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.467 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -129.5 60.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.171 -172.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.3 tp -81.0 -30.39 35.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.971 0.415 . . . . 0.0 110.736 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 p -63.31 -32.25 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.46 . . . . 0.0 110.242 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.52 -35.9 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.427 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -72.45 -30.24 64.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.98 -33.29 30.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 41.7 p -63.92 -30.47 71.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 0.0 111.836 -176.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.7 pt -93.59 -3.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.1 tttm . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.134 177.903 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 120.728 0.299 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.7 p -82.32 174.47 11.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.565 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.45 -41.23 76.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.655 0.264 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.82 -49.45 77.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.734 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -61.55 -39.67 91.94 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.943 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 63.4 tp -62.57 -40.5 97.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.811 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.14 -31.05 71.48 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.098 0.475 . . . . 0.0 110.45 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.567 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 77.5 ttt180 -68.48 -47.83 66.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.083 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.09 -34.54 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 14.3 mtt180 -57.3 -50.35 73.19 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -59.21 -44.83 92.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.791 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 5.8 mm-40 -64.89 -32.39 74.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.096 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.34 -29.62 30.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.849 0.357 . . . . 0.0 111.079 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 t -68.96 -50.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.07 0.462 . . . . 0.0 110.503 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -62.17 -37.08 83.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.768 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 p -81.42 -46.55 14.44 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 122.293 -0.255 . . . . 0.0 111.679 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.67 9.44 9.57 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.3 m120 54.58 39.16 30.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.368 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.38 123.57 88.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.461 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -60.47 141.88 96.58 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.932 2.421 . . . . 0.0 112.167 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.05 65.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.604 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.96 -50.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.925 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -59.09 -36.8 75.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.347 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -57.83 -41.71 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -64.51 -31.48 72.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.09 -54.7 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.23 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -56.99 -38.57 73.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.322 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -63.0 -21.66 66.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HE2' ' OE2' ' A' ' 36' ' ' GLU . 36.3 mtmm -110.37 20.8 17.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.089 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.471 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.6 m95 59.03 47.67 11.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.172 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 49.9 mt-10 -121.47 109.66 15.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.93 0.395 . . . . 0.0 110.145 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -115.58 100.0 53.09 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -64.17 145.65 89.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.556 2.171 . . . . 0.0 112.357 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.77 79.44 9.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.841 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.628 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.4 OUTLIER -150.82 157.88 43.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.25 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -52.8 -40.12 62.98 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -172.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -57.44 -56.52 20.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.1 0.476 . . . . 0.0 111.094 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 m -60.59 -35.44 76.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.25 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -61.8 -54.28 44.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.51 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.413 ' CA ' ' HB3' ' A' ' 98' ' ' CYS . 2.1 t -75.89 -21.38 57.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.725 -175.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -58.92 -47.48 84.89 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.05 -36.76 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.617 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 4.8 tmmm? -60.08 -54.31 47.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.189 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -56.93 -47.61 80.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.479 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.99 -49.43 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.8 m-30 -64.49 -25.86 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.979 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -78.15 -40.4 38.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.95 -22.09 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.996 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.45 2.54 55.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.475 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 58.25 45.75 16.77 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.23 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -123.35 -17.96 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 111.326 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.5 t80 -137.33 140.2 41.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.925 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 29.4 t70 -119.16 138.8 52.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.75 -10.83 60.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.651 -175.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.482 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 52.3 m -101.83 -65.09 1.0 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.527 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.14 -12.48 60.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.63 -151.29 24.01 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.021 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.07 123.17 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.788 2.325 . . . . 0.0 111.529 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.6 mt -83.78 89.6 7.2 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -51.4 -37.52 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.46 -174.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.16 -55.08 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.312 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -64.39 -34.36 77.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.369 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 mt -59.9 -43.97 94.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.729 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 65' ' ' VAL . 90.6 t -69.33 -41.93 81.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.863 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -62.58 -25.04 67.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.222 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -90.28 -60.41 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.397 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.608 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 95.2 mt -64.39 -45.5 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.542 -174.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.91 26.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -174.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 72' ' ' LEU . 60.9 t60 -74.43 92.27 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.86 19.67 16.67 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.366 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -146.68 167.12 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.468 0.175 . . . . 0.0 110.543 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' HG21 ' A' ' 81' ' ' VAL . 1.6 m-20 -63.98 105.93 0.95 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.797 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.04 -32.43 64.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.995 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.69 -49.47 76.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.928 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.09 -42.96 72.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.645 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 77' ' ' ASP . 86.5 t -56.37 -47.9 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.544 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -55.8 -43.3 76.72 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.651 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.8 m -61.2 -53.29 58.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.224 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.97 -40.16 92.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.822 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 89' ' ' VAL . 29.0 t -59.26 -48.98 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.626 0.25 . . . . 0.0 110.78 175.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.59 -30.39 68.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -65.7 -18.48 65.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.156 0.503 . . . . 0.0 110.737 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 35.7 m -105.32 -7.25 18.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.684 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 85' ' ' VAL . 39.9 t -95.74 110.37 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.275 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -146.49 -175.11 4.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.624 174.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -65.09 150.16 48.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -167.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -82.7 81.96 8.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.561 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.1 p -84.37 -9.86 58.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.209 0.528 . . . . 0.0 110.529 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.61 -20.73 46.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.259 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.75 20.07 11.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.037 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -147.45 127.31 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.15 -28.29 66.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -173.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.5 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 38.8 m -63.36 -39.96 95.96 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -71.98 -44.89 62.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.11 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -62.63 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.23 -173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.01 88.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.731 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 86.7 t80 -65.61 -31.38 72.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -66.76 -44.08 82.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.62 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.05 -44.51 87.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.702 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.45 -46.34 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.801 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -60.1 -41.62 92.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.314 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -63.1 -45.92 89.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.353 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -74.22 -46.59 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.344 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -66.12 -12.28 54.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.97 -37.9 89.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.79 -17.23 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.327 -176.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -127.27 58.8 1.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.664 0.268 . . . . 0.0 111.379 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 tp -86.05 -35.48 20.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.321 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.1 m -61.25 -33.52 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.87 -42.46 94.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.165 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 84.1 mt -59.99 -43.34 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.526 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.471 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.4 mttt -64.12 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.978 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.76 -23.43 49.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.037 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.608 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 39.9 m -67.2 -36.88 82.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.726 0.298 . . . . 0.0 111.506 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 36.6 pt -91.66 2.78 7.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 111.142 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.324 -177.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.1 p -83.33 -173.37 4.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.635 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.0 m -58.64 -41.23 85.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.433 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.83 -44.56 96.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.72 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.28 -39.38 86.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 59.1 tp -62.14 -34.24 76.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.962 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -63.85 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.652 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 67.4 ttt180 -70.98 -63.22 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.337 177.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.58 -39.63 70.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.408 -173.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.32 -36.33 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.819 -176.098 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.4 m -71.37 -46.46 60.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.984 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.652 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 12.0 mt-10 -60.73 -35.85 77.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.427 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.9 m -71.54 -34.28 69.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.595 0.236 . . . . 0.0 110.691 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.52 -51.22 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.541 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -61.77 -39.82 92.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.596 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 m -75.57 -43.78 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -84.99 12.47 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 54.64 37.92 29.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.108 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.28 119.07 69.8 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.263 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -62.94 144.01 92.38 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.806 2.337 . . . . 0.0 111.847 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -53.44 -32.14 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.34 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.52 -53.96 39.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.383 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -61.84 -36.33 80.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.63 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.23 -39.91 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.357 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 5.0 mm-40 -58.65 -38.2 77.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.973 0.416 . . . . 0.0 110.37 176.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -67.71 -46.61 71.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -63.36 -19.61 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.614 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -79.51 -10.62 59.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.196 0.522 . . . . 0.0 110.249 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -116.03 22.9 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 55.33 36.04 26.22 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.97 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -107.36 110.18 22.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.526 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.99 91.3 39.36 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.672 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.24 147.65 93.71 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.442 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.15 87.11 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.73 0.776 . . . . 0.0 110.925 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.2 t70 -146.44 145.1 30.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.812 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.24 -26.31 60.54 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.675 0.609 . . . . 0.0 111.374 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.457 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.9 m -57.63 -37.57 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.571 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.609 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -65.36 -48.99 71.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -173.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -20.65 52.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.543 -177.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -59.88 -48.23 82.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 170.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.43 -38.63 78.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.514 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.5 -52.11 67.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.771 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.6 t -59.14 -48.2 82.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.505 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.75 -47.92 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.22 0.533 . . . . 0.0 110.855 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -65.22 -25.68 67.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.785 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.55 -43.28 39.68 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.411 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -75.02 -23.91 58.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.8 mtp -86.86 3.95 43.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 55.95 44.06 26.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.926 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 mt -117.6 -18.85 9.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.868 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -137.42 134.58 36.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.548 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.68 137.08 51.5 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.12 -24.08 67.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.928 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.2 m -95.71 -64.07 1.09 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.851 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.91 -13.87 60.26 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.96 -148.59 22.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.165 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.43 123.96 11.47 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.454 2.103 . . . . 0.0 111.96 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -83.55 96.47 8.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 69' ' ' VAL . 90.4 t -50.22 -46.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.759 -174.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.69 -51.78 67.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.663 0.268 . . . . 0.0 111.331 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.01 -37.48 77.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.233 0.54 . . . . 0.0 109.987 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.02 -43.48 98.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.185 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 65' ' ' VAL . 98.6 t -69.38 -42.99 81.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 111.427 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -90.85 -57.4 2.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.123 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 74' ' ' HIS . 83.9 mt -63.75 -44.55 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.71 34.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.466 ' H ' ' C ' ' A' ' 72' ' ' LEU . 18.7 t60 -65.86 90.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.305 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.43 28.91 31.61 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.33 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -147.22 166.54 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.605 0.24 . . . . 0.0 111.114 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' ' 81' ' ' VAL . 18.4 m-20 -59.04 105.1 0.29 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.309 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.785 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.5 -47.51 81.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.081 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.13 -48.75 64.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 77' ' ' ASP . 85.1 t -54.45 -45.98 70.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.482 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -54.29 -46.67 72.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 111.326 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 m -66.34 -53.1 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.153 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.0 -33.09 71.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.858 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.74 -51.01 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.63 0.252 . . . . 0.0 110.886 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.3 mt -56.56 -31.99 64.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.802 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -73.11 -7.82 53.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 110.952 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.37 -12.56 14.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.11 106.44 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.006 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -122.16 175.65 6.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -85.41 156.7 20.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.545 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -78.59 84.1 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.749 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.2 p -83.24 -25.24 31.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 96' ' ' ASN . 4.6 p-10 -85.95 -10.05 55.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.448 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 67.09 24.16 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.669 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.441 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 18.4 t-20 -130.06 120.76 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.698 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 45.5 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.094 0.474 . . . . 0.0 109.734 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -76.66 -32.79 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.818 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -61.09 -52.32 65.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.91 90.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.488 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 84.9 t80 -67.66 -31.25 71.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -66.06 -44.42 84.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.374 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.24 95.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.807 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 110.861 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -65.54 -40.59 93.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.162 -176.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -62.35 -41.91 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 111.157 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.401 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.3 t80 -75.9 -50.93 13.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.089 -173.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.41 -23.99 66.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -61.45 -29.7 70.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.852 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -119.33 -26.8 5.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -134.48 65.41 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.638 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.4 tp -86.52 -29.94 22.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 0.0 110.759 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 m -61.88 -38.46 88.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.67 -34.21 77.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.399 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.78 -40.18 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.393 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.15 -46.14 82.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.034 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.29 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.023 0.439 . . . . 0.0 111.343 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.1 t -54.61 -46.08 73.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.628 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.0 pt -90.42 -1.3 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.545 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 tttp . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 178.442 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 120.577 0.227 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.3 p -79.46 178.87 7.8 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.296 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -52.88 -48.7 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 111.536 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.7 -40.79 98.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -65.2 -38.88 91.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.277 0.56 . . . . 0.0 109.936 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.8 tp -63.95 -33.28 75.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.979 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.97 -30.48 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -63.74 -57.06 11.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.888 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -64.8 -39.0 92.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -64.8 -38.79 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.4 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -67.47 -41.8 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.931 0.396 . . . . 0.0 110.647 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.67 -49.22 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.247 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.2 m -64.79 -35.94 82.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.04 -49.81 83.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.135 0.493 . . . . 0.0 110.432 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -64.39 -37.6 88.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.938 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -77.0 -48.21 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.629 0.252 . . . . 0.0 111.414 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.28 10.43 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.6 m120 54.98 40.14 31.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.101 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -67.78 121.7 80.57 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.05 141.97 97.42 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.212 2.608 . . . . 0.0 111.936 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.43 -32.82 65.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.052 -0.977 . . . . 0.0 111.44 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -54.12 -52.27 61.59 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.487 0.492 . . . . 0.0 110.954 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -60.69 -38.38 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.34 -42.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.441 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 10.8 mt-10 -62.25 -38.62 89.98 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.728 0.299 . . . . 0.0 110.224 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.52 -48.55 79.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -61.91 -22.6 65.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.191 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -74.76 -28.93 60.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.045 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -104.53 29.6 6.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.421 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.7 m95 51.7 52.99 13.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.374 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.08 114.08 15.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.037 0.446 . . . . 0.0 110.397 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -120.23 91.35 46.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.273 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -59.36 141.06 97.1 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.54 2.16 . . . . 0.0 112.307 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -73.97 92.57 2.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.223 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -155.1 149.27 25.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -50.17 -45.23 53.19 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.303 0.377 . . . . 0.0 111.74 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.5 m -51.88 -54.15 32.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.718 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.5 m -60.58 -33.57 72.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.075 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.569 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.9 mtt -69.42 -50.26 47.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.42 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.4 m -64.81 -29.73 70.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.633 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.424 ' O ' HG22 ' A' ' 50' ' ' VAL . 27.8 t80 -60.85 -51.18 70.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.183 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.49 -37.77 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.69 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.39 -53.34 59.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.673 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.05 -46.04 86.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.382 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 46' ' ' TYR . 94.1 t -63.12 -50.24 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -64.68 -26.26 68.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.98 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.82 -41.82 35.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.16 -22.8 54.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.354 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 83.6 mtp -82.34 -2.55 53.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 59.82 48.46 9.03 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.024 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 mt -124.17 -18.88 5.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.911 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.2 t80 -141.11 137.64 32.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.303 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.51 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 31.0 t70 -122.72 142.77 50.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.376 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -74.03 -11.94 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.763 0.316 . . . . 0.0 111.229 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.51 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 51.7 m -99.33 -63.99 1.08 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.26 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -79.38 -15.47 57.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.881 -175.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.91 -151.24 25.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.537 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -59.08 121.37 9.82 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.175 2.583 . . . . 0.0 111.704 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 mt -82.24 89.34 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.832 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.0 t -48.95 -46.3 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.753 -173.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.98 -51.86 67.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.591 0.234 . . . . 0.0 111.539 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.54 -34.64 78.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.285 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.17 -47.64 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.506 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.7 t -68.06 -42.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.69 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -59.94 -29.82 68.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -88.96 -60.41 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.258 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 74' ' ' HIS . 85.0 mt -63.53 -41.03 98.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 33.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.99 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.6 t-80 -71.97 83.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.723 178.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.37 33.81 6.08 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.217 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -152.47 171.37 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.275 0.23 . . . . 0.0 110.715 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.64 107.51 2.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.471 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.78 68.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.048 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.8 -41.7 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.054 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -65.55 -45.0 85.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 0.0 110.001 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.71 -47.58 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.318 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -50.95 -45.94 60.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.035 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.2 m -65.11 -52.31 56.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -58.37 -40.14 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.643 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.7 t -60.02 -50.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.576 0.227 . . . . 0.0 110.963 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.44 -32.44 66.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.623 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.23 -8.55 55.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.7 m -113.05 -7.2 13.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.591 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.3 t -79.91 130.57 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.682 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.29 168.98 17.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.113 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -92.4 163.41 13.87 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.371 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 63.1 t30 -79.96 61.98 4.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.409 0.623 . . . . 0.0 111.332 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.6 p -87.86 -5.14 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.647 0.737 . . . . 0.0 109.107 172.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -82.0 -22.74 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.619 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.85 19.91 11.35 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.181 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -147.67 121.87 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.845 0.355 . . . . 0.0 110.066 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.07 -32.73 74.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.251 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.8 m -62.32 -45.74 91.88 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.872 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -80.88 -26.23 37.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.306 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.461 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.7 t90 -63.31 -52.83 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.986 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . . . -64.91 -40.74 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.905 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.426 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 82.3 t80 -65.6 -32.95 74.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.197 -177.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.6 -37.04 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.0 -44.68 95.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.375 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.54 -47.57 75.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.717 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -62.23 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.24 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.98 -45.49 94.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.427 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 34.2 t80 -72.8 -49.42 30.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.953 -174.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.61 -22.73 67.05 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.782 0.325 . . . . 0.0 111.43 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.028 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -18.61 3.71 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.262 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -135.32 63.23 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.191 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.1 tp -85.94 -32.76 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -64.49 -32.24 73.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.908 0.385 . . . . 0.0 110.183 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.76 -36.17 80.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.052 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.421 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.6 mttt -64.9 -46.29 82.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.785 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -17.66 60.94 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.828 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.2 t -69.24 -40.52 77.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.946 0.403 . . . . 0.0 110.675 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.4 pt -95.41 -7.57 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.0 tptp . . . . . 0 N--CA 1.444 -0.749 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.239 -177.758 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -96.7 170.04 9.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.389 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -55.73 -49.83 72.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.01 -40.71 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -30.24 38.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.212 0.53 . . . . 0.0 110.637 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.29 -31.4 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.049 174.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.23 -25.5 66.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.547 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 30.9 ttm180 -66.88 -52.96 37.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.759 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.75 -41.92 96.37 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -37.46 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.605 -178.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -64.87 -51.4 62.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.397 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 10.7 mt-10 -59.81 -39.47 85.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.364 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.35 -34.08 70.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.31 -49.82 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.432 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t -70.95 -20.2 62.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.93 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.2 p -90.36 -47.39 7.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.388 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.09 10.04 5.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.282 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 55.62 34.27 22.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.369 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.04 118.34 45.06 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.497 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.5 142.83 96.42 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.939 2.426 . . . . 0.0 111.791 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -27.25 56.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.253 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.01 -55.54 19.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.023 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.2 m-85 -64.53 -37.95 89.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.251 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.67 -41.79 83.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -35.79 80.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.14 -46.17 82.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.718 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 12.5 m-85 -59.08 -29.31 67.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -63.56 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -100.02 23.52 9.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.7 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.6 m95 50.0 42.99 25.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.23 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -111.02 109.63 19.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.831 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -114.97 92.62 31.4 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.289 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.91 146.94 76.72 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.503 2.135 . . . . 0.0 112.34 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -80.03 75.58 6.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.671 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.602 ' O ' ' HG3' ' A' ' 44' ' ' MET . 19.9 t70 -144.28 147.41 33.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.966 -174.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.89 -47.36 11.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.822 0.701 . . . . 0.0 111.973 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.9 m -51.69 -57.39 9.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.641 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 m -59.47 -34.23 72.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.296 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.4 mtt -67.27 -50.42 60.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.419 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.3 m -64.91 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.671 0.272 . . . . 0.0 110.412 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.413 ' O ' HG21 ' A' ' 50' ' ' VAL . 27.0 t80 -60.03 -51.7 68.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.182 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.14 -39.3 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.79 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 48' ' ' LYS . 12.9 tmtt? -61.95 -52.51 63.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.255 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.9 t -55.26 -47.08 75.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 46' ' ' TYR . 73.4 t -64.09 -46.38 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 111.329 -178.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.5 -26.77 68.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.765 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.11 -38.04 37.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -62.78 -37.48 86.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.739 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtp -86.93 8.0 24.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.328 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 52.11 46.75 26.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -116.36 -16.13 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.812 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -142.12 130.48 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.74 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -111.93 146.96 36.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.121 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.62 -18.96 65.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.993 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.4 m -102.58 -65.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.825 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -70.36 -21.25 62.9 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.1 -135.89 13.93 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.644 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.8 122.72 10.39 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.278 1.985 . . . . 0.0 111.939 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -82.42 90.96 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.874 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' O ' HG21 ' A' ' 69' ' ' VAL . 96.9 t -50.8 -45.62 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.584 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.83 -52.26 65.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.653 0.263 . . . . 0.0 111.344 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -64.32 -33.01 74.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.39 . . . . 0.0 110.386 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.53 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.056 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 65' ' ' VAL . 87.2 t -66.1 -45.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.852 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -58.73 -30.82 67.76 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.094 0.474 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -85.63 -60.41 2.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.002 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.674 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 94.5 mt -66.77 -41.44 87.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.701 -173.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.56 32.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' A' ' 72' ' ' LEU . 36.4 t-80 -74.02 85.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.71 23.07 10.34 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.594 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -146.0 165.87 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 111.321 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.29 108.12 0.75 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.22 66.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.443 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.14 -46.72 85.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.29 -42.25 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 0.0 110.364 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.51 -48.02 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.4 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -53.2 -45.74 68.71 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 121.032 0.444 . . . . 0.0 110.379 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 9.9 m -60.13 -52.17 66.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -54.29 -44.22 71.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.36 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.474 ' O ' HG22 ' A' ' 89' ' ' VAL . 40.6 t -59.28 -51.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.04 -25.08 66.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.779 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 83' ' ' THR . 30.0 mtpp -78.62 -6.72 56.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.314 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -117.56 -8.27 10.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.01 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 85' ' ' VAL . 95.8 t -75.24 112.81 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.76 174.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -131.96 179.46 6.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.189 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -87.41 155.97 19.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.868 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.409 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -83.93 64.53 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.652 177.604 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 t -63.46 -15.74 58.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.501 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -89.53 -9.85 48.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.196 0.522 . . . . 0.0 110.755 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.29 44.8 26.84 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.724 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.44 121.64 6.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.703 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.64 73.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.0 m -62.49 -41.04 98.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -82.8 -24.89 33.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.204 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.409 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 8.9 t90 -73.14 -53.23 11.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.515 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.92 81.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.426 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 74.0 t80 -68.46 -31.09 70.14 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.591 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -65.03 -45.9 83.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.958 0.409 . . . . 0.0 110.043 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.42 -46.02 94.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.89 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -64.14 -47.52 79.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -60.55 -44.09 96.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.347 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.26 -43.67 98.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.455 . . . . 0.0 111.061 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 19.4 t80 -74.97 -47.99 26.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.766 -173.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -69.05 -9.67 53.71 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.799 0.333 . . . . 0.0 111.376 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.5 -35.01 79.21 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.004 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.24 -19.37 3.16 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.631 -176.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -123.69 51.91 1.47 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.283 . . . . 0.0 111.122 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.8 tp -83.0 -32.44 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -62.93 -33.38 75.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.29 -40.61 94.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.36 -40.6 88.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.91 -30.01 70.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.814 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.05 -30.91 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.22 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.674 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 15.9 m -60.47 -36.17 77.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.427 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 pt -97.28 1.63 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.793 -179.564 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.767 0.318 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.0 p -76.81 179.66 5.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.44 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 86.2 m -49.82 -48.19 50.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.5 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.697 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.58 -43.25 97.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.19 -38.21 90.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.078 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 8' ' ' THR . 80.3 mm-40 -67.2 -27.66 67.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.91 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.682 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 77.1 ttt180 -67.65 -60.32 2.64 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.013 174.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.16 -37.99 72.89 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.017 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.887 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -65.95 -47.42 74.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.761 0.315 . . . . 0.0 111.2 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.682 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 16.1 mt-10 -63.21 -34.85 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.709 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.506 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 85.3 m -69.76 -34.59 73.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.767 0.318 . . . . 0.0 110.394 174.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.29 -50.67 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 121.072 0.463 . . . . 0.0 110.427 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 t -65.56 -28.73 69.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.2 t -83.44 -50.02 8.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.686 0.279 . . . . 0.0 111.5 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -81.62 10.35 6.16 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 m120 55.82 34.66 23.91 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.0 mm -64.47 121.14 70.95 Favored Pre-proline 0 N--CA 1.452 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.44 142.48 97.93 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.036 2.491 . . . . 0.0 112.05 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.35 -30.24 66.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.38 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -62.87 -42.01 99.6 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.972 0.17 . . . . 0.0 110.653 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -61.68 -38.55 88.22 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.691 0.281 . . . . 0.0 111.137 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.21 -41.76 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 17.7 mt-10 -63.01 -35.65 80.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.407 176.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.98 -50.19 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.304 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -60.4 -23.32 64.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.226 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -69.65 -28.9 66.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.412 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -104.75 27.63 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.814 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 50.45 46.16 25.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.979 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.05 109.37 18.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.695 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -114.2 97.77 46.53 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.642 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.94 140.59 93.62 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.516 2.144 . . . . 0.0 112.502 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.86 80.4 8.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.591 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.565 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.196 -176.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.8 -44.39 49.12 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -52.52 -60.96 2.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 111.414 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 m -61.14 -33.26 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.567 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.565 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -66.4 -51.37 57.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.512 -176.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.95 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.365 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.446 ' O ' HG22 ' A' ' 50' ' ' VAL . 27.4 t80 -60.17 -50.71 72.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.649 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.6 -38.92 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.02 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -63.1 -49.5 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.261 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 t -56.38 -48.29 77.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.361 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.458 HG11 ' HE1' ' A' ' 54' ' ' MET . 94.9 t -62.69 -47.13 94.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -67.89 -28.37 67.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.858 -177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 3.4 t-20 -77.54 -38.48 48.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.291 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 25.4 mtpp -71.36 -28.91 64.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.948 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.458 ' HE1' HG11 ' A' ' 50' ' ' VAL . 50.9 mtm -83.8 4.19 30.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.777 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 57.59 31.34 20.2 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.331 0.586 . . . . 0.0 111.735 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 mt -103.75 -18.62 14.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.693 0.758 . . . . 0.0 109.997 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' A' ' 52' ' ' ASN . 67.8 t80 -144.13 127.29 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.751 176.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -98.25 140.68 32.19 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.43 -9.45 34.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.398 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -121.79 -57.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.828 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.83 -4.99 49.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.41 -157.31 42.29 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.535 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -63.38 122.3 10.41 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.383 2.722 . . . . 0.0 112.46 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -85.48 97.28 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.2 t -51.24 -45.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.829 -174.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.54 -52.21 66.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.51 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.67 -33.53 74.14 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.178 0.513 . . . . 0.0 110.166 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.96 -41.09 99.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.443 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.5 t -72.36 -41.3 65.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.86 0.362 . . . . 0.0 111.031 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -64.63 -26.85 68.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -90.6 -60.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 74' ' ' HIS . 81.5 mt -61.32 -45.45 94.39 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.15 34.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.498 ' H ' ' C ' ' A' ' 72' ' ' LEU . 55.6 t-80 -62.38 89.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.391 0.676 . . . . 0.0 110.462 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.76 30.4 35.87 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.358 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -147.33 167.62 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.797 -0.237 . . . . 0.0 111.348 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.51 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.8 m-20 -57.97 101.47 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.969 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.32 91.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.096 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.45 -46.6 88.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.131 0.491 . . . . 0.0 110.869 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 38.1 mt-10 -69.27 -40.1 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 85' ' ' VAL . 61.6 t -56.58 -51.37 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -49.84 -46.24 51.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.6 m -58.55 -50.91 72.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.117 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 23.0 mt-10 -64.76 -30.28 71.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.543 ' O ' HG21 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -75.65 -33.17 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.789 177.714 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.93 -29.9 70.4 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 61.8 pttt -77.92 -7.82 57.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.103 0.478 . . . . 0.0 110.368 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 m -105.16 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.226 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 85' ' ' VAL . 87.1 t -71.97 130.83 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 175.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -144.89 160.01 41.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -71.68 157.74 37.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.517 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -83.74 59.48 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.505 0.669 . . . . 0.0 110.697 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -83.72 -5.83 59.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.557 0.694 . . . . 0.0 109.564 173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.457 ' CG ' ' HD1' ' A' ' 99' ' ' HIS . 7.6 t70 -80.71 -25.51 38.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.658 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.33 33.49 16.42 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.948 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -152.91 118.65 5.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -171.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.03 -44.46 96.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.709 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.642 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.9 t-160 -78.78 -29.17 44.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.411 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -61.6 -54.08 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -66.34 -29.49 69.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.707 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 57.0 mtp180 -67.7 -45.29 75.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.408 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.75 -44.89 96.82 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.768 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -65.77 -46.29 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.692 0.282 . . . . 0.0 110.74 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -63.5 -41.95 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.158 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.69 -44.88 96.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.897 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -74.35 -47.67 32.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.237 -173.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -68.75 -11.89 60.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.615 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -77.5 -26.73 51.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.016 0.436 . . . . 0.0 110.382 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -117.17 -27.54 6.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -139.74 66.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.523 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.3 tp -81.47 -26.72 35.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.977 0.418 . . . . 0.0 110.61 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.0 m -66.35 -36.53 83.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.1 tp -66.96 -35.17 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 82.7 mt -66.08 -45.19 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.247 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.32 -36.08 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.013 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.34 59.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.121 -177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.476 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 94.1 p -65.37 -29.72 70.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.507 -176.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.2 pt -98.46 6.63 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.975 0.417 . . . . 0.0 111.192 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.1 tptt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.103 178.482 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.4 p -81.59 -178.19 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.314 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -54.61 -37.69 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.264 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.52 -46.66 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.979 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.69 -39.88 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 109.697 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.69 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 65.7 tp -60.95 -45.07 96.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -61.1 -31.9 71.58 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 0.0 110.636 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -65.63 -44.27 86.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.379 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -69.77 -37.37 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.69 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 47.5 mtm180 -62.56 -33.87 75.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.694 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -67.19 -41.45 85.84 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.662 0.267 . . . . 0.0 110.879 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.74 -35.84 81.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.3 m -72.85 -34.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.788 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.71 -53.48 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -65.94 -19.71 65.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.513 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 t -90.26 -47.61 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.23 14.43 9.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 55.54 39.15 30.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.493 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.0 mm -73.45 119.93 78.44 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.736 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.86 145.87 94.78 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.829 2.353 . . . . 0.0 111.923 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.53 -32.0 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.513 -177.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -52.07 -49.89 62.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.504 0.502 . . . . 0.0 110.702 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.17 -42.02 89.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.249 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.43 -38.36 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.474 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.0 mt-10 -62.97 -38.26 90.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.123 0.487 . . . . 0.0 110.298 175.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.06 -45.97 83.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.158 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -59.22 -33.53 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.97 -16.47 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -115.5 24.23 11.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.544 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 48.44 48.34 19.33 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.868 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.89 109.78 15.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.403 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -115.32 98.7 51.17 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.734 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.83 141.33 95.78 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.624 2.216 . . . . 0.0 112.508 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -89.12 79.73 7.12 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.559 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.581 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.9 OUTLIER -155.51 160.78 40.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.627 178.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -51.14 -36.51 41.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -172.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -56.08 -59.88 4.29 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.667 0.27 . . . . 0.0 111.347 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.4 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -66.71 -47.55 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.57 -174.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.06 -30.58 69.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.777 0.322 . . . . 0.0 110.203 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.489 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 33.8 t80 -60.44 -50.58 73.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.32 -40.18 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -60.34 -51.97 67.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 110.156 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.16 -48.62 79.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.611 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.59 -43.21 98.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.53 -27.78 68.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.554 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.05 -35.01 43.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.276 0.56 . . . . 0.0 110.068 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.61 -37.42 83.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.7 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.407 ' SD ' HD13 ' A' ' 11' ' ' LEU . 98.0 mtp -85.49 1.84 47.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.255 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 60.91 54.06 3.58 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.494 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 mt -127.23 -19.4 4.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.568 -173.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -141.96 138.52 32.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 28.5 t70 -119.76 137.03 54.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.442 178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.4 -20.74 60.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.621 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.434 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 57.7 m -99.28 -65.76 0.94 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -76.26 -7.89 55.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.93 -152.81 35.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.918 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 121.33 9.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.074 2.516 . . . . 0.0 111.817 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -83.07 91.03 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.4 t -48.52 -44.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.621 -175.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.21 -54.69 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.664 0.269 . . . . 0.0 111.424 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.94 -33.05 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.06 -51.02 71.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.24 -38.9 80.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -61.0 -32.19 71.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -90.66 -57.65 2.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.988 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.713 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 91.9 mt -59.8 -42.54 93.67 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -174.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.25 34.6 0.09 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.133 0.492 . . . . 0.0 111.901 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 72' ' ' LEU . 68.8 t60 -66.35 85.77 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 29.09 23.83 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -149.25 166.46 28.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.681 0.241 . . . . 0.0 111.351 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.557 ' O ' HG22 ' A' ' 81' ' ' VAL . 18.3 m-20 -55.49 110.37 0.69 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.405 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.17 83.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.846 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.7 -46.5 87.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.913 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.92 -45.83 89.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.192 176.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 77' ' ' ASP . 91.9 t -59.36 -48.29 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.562 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -56.24 -44.47 79.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -60.63 -53.46 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.056 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -55.5 -42.99 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.567 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' HG21 ' A' ' 89' ' ' VAL . 37.3 t -57.59 -51.43 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.816 0.341 . . . . 0.0 111.002 176.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.44 -30.34 70.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.44 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -74.23 -4.25 34.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.803 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 m -119.96 -9.13 9.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.261 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 85' ' ' VAL . 69.4 t -75.1 123.2 30.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.954 0.406 . . . . 0.0 110.839 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -114.41 178.54 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.939 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -100.68 155.36 17.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.31 173.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.461 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 59.6 t30 -78.6 71.05 5.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 110.703 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.5 p -90.22 -9.04 49.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.046 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.06 -18.8 45.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.902 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 61.36 23.9 14.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.472 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -146.67 107.85 4.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.441 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.98 -41.13 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.815 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -77.4 -31.08 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.4 t90 -62.6 -53.48 53.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.366 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.43 84.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.455 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 82.9 t80 -66.39 -35.87 81.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.583 -175.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 103' ' ' ARG . 31.2 ttp180 -72.32 -33.67 67.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.19 91.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.462 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -64.9 -46.97 79.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -63.38 -42.61 98.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.054 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.8 t -60.95 -45.66 93.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 110.885 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 28.4 t80 -70.41 -50.0 43.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.002 -173.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.69 -26.75 68.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 111.347 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -66.86 -23.1 65.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.048 0.451 . . . . 0.0 110.734 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -112.84 -35.96 5.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -136.61 73.65 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.969 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 tp -87.09 -32.45 19.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.752 0.311 . . . . 0.0 111.174 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -34.66 78.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.53 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.39 -38.54 91.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.983 0.42 . . . . 0.0 110.053 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.54 -42.29 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.316 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -37.91 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.586 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.27 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.713 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 17.2 m -61.52 -32.42 72.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.884 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.38 7.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 111.268 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 49.2 tttm . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 120.937 0.398 . . . . 0.0 111.077 -179.542 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 120.916 0.389 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.8 p -76.83 -173.1 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.87 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.504 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 3.3 m -56.62 -40.0 74.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.52 -50.7 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.795 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.81 -39.72 85.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.84 -40.83 98.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.386 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 8' ' ' THR . 43.0 mt-30 -69.44 -27.01 64.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.2 ttm180 -65.84 -58.01 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.469 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -60.93 -35.6 77.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 111.305 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.49 94.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.702 -175.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 m -64.79 -43.71 92.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.349 . . . . 0.0 110.572 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 3.2 mm-40 -61.02 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.347 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.15 -32.82 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.3 -52.9 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.2 m -64.47 -31.09 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.0 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.5 m -79.87 -45.19 19.11 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.01 9.68 24.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 t30 55.37 35.72 25.59 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.131 0.491 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.64 121.74 72.31 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.469 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -60.51 139.67 87.43 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.789 2.326 . . . . 0.0 111.468 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.91 -34.27 65.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.483 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.83 -49.92 67.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.227 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -61.21 -38.97 88.51 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.537 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.75 -44.5 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.077 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -64.58 -32.77 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.989 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.12 -52.81 62.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.425 ' CE1' HG21 ' A' ' 43' ' ' THR . 9.3 m-85 -59.97 -33.51 72.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.481 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -62.32 -26.54 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.751 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -107.54 32.75 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.3 m95 50.63 41.93 26.4 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -126.15 113.15 16.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.293 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -116.59 102.93 53.13 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.592 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.51 145.62 97.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.416 2.077 . . . . 0.0 112.385 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -81.45 81.38 7.59 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.271 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -148.74 146.16 27.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.985 -173.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -44.45 -47.96 9.94 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.749 0.656 . . . . 0.0 112.506 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 m -53.99 -52.93 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.564 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.425 HG21 ' CE1' ' A' ' 32' ' ' PHE . 25.1 m -60.89 -34.02 74.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.205 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.547 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 62.5 mtt -67.3 -51.81 48.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.344 -175.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -67.14 -28.52 68.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.099 -0.241 . . . . 0.0 110.82 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.419 ' O ' HG21 ' A' ' 50' ' ' VAL . 34.8 t80 -61.42 -51.7 67.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.838 0.351 . . . . 0.0 110.058 175.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.49 -38.93 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.594 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -60.44 -53.09 61.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.379 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.626 ' SG ' ' HE2' ' A' ' 53' ' ' LYS . 16.2 t -57.01 -46.98 81.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.546 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 46' ' ' TYR . 73.1 t -62.26 -48.02 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.744 -178.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.67 -24.62 67.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.902 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.22 -40.14 27.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HE2' ' SG ' ' A' ' 49' ' ' CYS . 65.1 mttm -74.71 -26.04 59.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 77.6 mtp -82.87 -0.2 47.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.805 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 57.08 50.82 11.31 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -122.92 -17.52 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.037 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -139.46 135.16 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.843 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -118.18 144.23 45.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.91 -20.87 65.14 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.5 m -99.11 -64.16 1.06 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.509 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.76 -16.44 60.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.84 -148.57 22.65 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.23 -0.985 . . . . 0.0 112.324 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.35 121.18 9.07 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.05 2.5 . . . . 0.0 111.693 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -81.38 95.82 7.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' HG21 ' A' ' 69' ' ' VAL . 96.9 t -51.17 -44.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.523 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.79 -49.54 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.325 . . . . 0.0 111.437 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -63.39 -34.57 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.167 0.508 . . . . 0.0 110.163 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.4 mt -65.24 -44.44 88.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.47 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 65' ' ' VAL . 99.1 t -68.22 -42.57 84.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.907 0.384 . . . . 0.0 110.295 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.93 -26.73 67.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.324 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -91.16 -60.71 1.83 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.023 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' C ' ' H ' ' A' ' 74' ' ' HIS . 96.8 mt -67.03 -41.22 86.93 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -171.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.94 34.0 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.474 ' H ' ' C ' ' A' ' 72' ' ' LEU . 26.9 t-80 -75.45 84.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.26 29.38 6.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.734 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.467 ' NH1' HD21 ' A' ' 115' ' ' LEU . 18.8 mtp180 -152.51 168.03 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.597 0.198 . . . . 0.0 110.661 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 81' ' ' VAL . 26.3 m-20 -64.16 106.27 1.04 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.089 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.14 -39.97 95.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.681 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.62 -43.16 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.109 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 77' ' ' ASP . 90.4 t -57.11 -43.7 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.07 -43.66 70.49 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -62.5 -54.75 35.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.283 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -42.7 78.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.479 ' O ' HG21 ' A' ' 89' ' ' VAL . 37.4 t -59.15 -50.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.04 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.52 -31.83 64.5 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.747 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.91 -7.02 53.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.004 0.43 . . . . 0.0 110.939 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.0 m -113.23 -11.59 13.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.566 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 85' ' ' VAL . 89.1 t -71.42 103.57 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 109.92 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.04 176.98 4.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.106 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.03 152.08 20.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.868 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -77.34 64.24 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -76.02 -19.98 58.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -83.41 -13.0 55.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 58.66 29.05 18.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.51 126.68 13.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.239 -178.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.84 -35.51 78.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.713 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.23 -41.24 98.23 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.185 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -71.42 -30.95 66.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.6 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -70.31 -52.09 25.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.721 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.59 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 87.2 t80 -64.28 -33.11 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.87 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -70.47 -36.55 73.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.301 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.37 90.45 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.33 -45.32 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -63.24 -38.64 91.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.453 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.6 t -65.52 -43.67 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.501 . . . . 0.0 111.134 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.437 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 33.8 t80 -76.62 -47.28 22.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.373 -172.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.0 -24.86 66.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.571 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -66.26 -26.01 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.938 0.399 . . . . 0.0 110.526 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -116.95 -24.7 7.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.304 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -139.74 61.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -80.99 -34.22 33.13 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.478 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 m -62.79 -34.38 77.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.089 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.467 HD21 ' NH1' ' A' ' 76' ' ' ARG . 62.3 tp -68.08 -35.57 78.4 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.59 177.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 80.7 mt -65.94 -39.66 85.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 110.333 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.71 -46.38 79.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.717 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.74 74.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.1 t -54.5 -47.46 73.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.483 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.38 -0.08 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.508 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.5 tptt . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 121.0 0.428 . . . . 0.0 110.971 -175.315 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -79.35 177.12 9.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.518 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.0 m -53.13 -47.11 68.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.603 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.84 -41.18 99.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -63.4 -39.29 94.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.072 0.463 . . . . 0.0 109.774 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -64.61 -37.19 86.7 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.943 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -70.72 -24.04 62.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.271 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -70.07 -52.77 21.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.98 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -62.75 -38.97 92.64 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.851 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -59.06 -43.09 91.69 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.044 0.449 . . . . 0.0 110.035 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.0 m -61.71 -51.33 68.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -40.53 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -176.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -65.27 -33.93 77.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.559 0.219 . . . . 0.0 110.911 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -65.8 -54.18 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -65.5 -22.02 66.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.603 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 t -87.87 -48.19 8.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.6 11.42 8.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m120 57.33 32.92 22.54 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.406 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.64 120.68 67.87 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.651 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.55 140.44 93.95 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.796 2.33 . . . . 0.0 111.958 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.61 58.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.94 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -57.11 -49.27 76.42 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.464 0.477 . . . . 0.0 111.145 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -61.01 -35.78 77.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.73 -43.26 87.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.204 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.52 -36.11 77.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 110.648 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.02 -53.62 50.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 178.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -59.89 -32.0 70.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.874 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.25 -30.18 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.525 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -104.19 16.89 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.5 m95 56.28 44.4 24.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -109.75 109.37 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.518 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -115.83 97.58 49.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.569 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -64.3 146.4 90.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.544 2.163 . . . . 0.0 111.928 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.39 80.94 3.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.452 0.644 . . . . 0.0 109.461 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.665 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -141.96 150.24 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.161 -177.445 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.49 -42.31 67.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.222 0.326 . . . . 0.0 111.789 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.3 m -57.03 -56.59 19.77 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.467 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.3 m -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.665 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.3 mtt -65.38 -49.72 68.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.297 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.5 m -66.78 -29.91 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.729 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.21 -47.48 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.333 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.97 -38.47 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.633 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -59.7 -52.16 66.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -58.96 -47.29 85.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.06 -48.81 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.385 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.3 m-30 -62.69 -29.05 70.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 110.854 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -78.85 -38.33 38.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.264 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -70.07 -27.4 64.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.646 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.6 mtp -87.49 2.59 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.55 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 54.92 35.56 24.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.945 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -106.61 -15.66 14.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.522 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.2 t80 -136.86 134.31 36.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.492 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -113.08 142.78 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.834 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -66.68 -19.48 65.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.841 -174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -109.22 -56.76 2.25 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.604 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.9 -15.42 57.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.644 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.49 -149.8 27.76 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.206 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.76 123.57 13.55 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.956 2.437 . . . . 0.0 111.885 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.6 93.0 8.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -54.03 -35.68 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.016 -174.762 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.24 -56.36 22.52 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.902 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -59.79 -37.39 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.182 0.515 . . . . 0.0 110.297 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.04 -45.9 90.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.806 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 65' ' ' VAL . 89.6 t -68.92 -41.97 82.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.889 0.376 . . . . 0.0 110.684 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.6 -24.98 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.263 0.554 . . . . 0.0 110.534 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.467 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 29.2 tp60 -90.0 -59.93 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.135 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 74' ' ' HIS . 90.0 mt -63.36 -45.82 89.41 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.45 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.83 33.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' A' ' 72' ' ' LEU . 47.2 t-80 -72.43 84.6 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.447 . . . . 0.0 109.863 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.76 26.7 8.89 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.255 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -150.36 166.39 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.935 -0.156 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 81' ' ' VAL . 4.2 m-20 -58.47 105.59 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.374 0.607 . . . . 0.0 111.631 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.83 72.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.814 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.3 -39.11 89.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.986 0.422 . . . . 0.0 111.028 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.95 -46.0 86.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.384 0.611 . . . . 0.0 109.446 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 77' ' ' ASP . 94.3 t -62.2 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.667 179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -53.92 -43.97 70.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.79 0.436 . . . . 0.0 110.74 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -51.94 66.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.44 -44.93 89.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.454 ' O ' HG21 ' A' ' 89' ' ' VAL . 39.6 t -55.98 -50.82 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 CA-C-O 120.802 0.334 . . . . 0.0 111.237 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.5 mt -57.7 -31.93 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.627 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.32 -8.17 55.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.176 0.513 . . . . 0.0 110.745 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 24.4 m -114.15 -11.28 12.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.801 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 85' ' ' VAL . 79.6 t -75.55 102.41 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -122.74 158.66 29.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.624 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -74.94 151.64 38.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -77.74 76.43 4.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.462 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -81.97 -26.32 34.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.898 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.36 -14.91 54.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.675 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 66.76 21.57 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.177 -0.919 . . . . 0.0 113.282 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.88 115.89 22.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.196 0.522 . . . . 0.0 110.09 172.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -32.5 65.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.492 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 76.8 m -64.7 -37.4 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.439 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.415 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 47.4 t-80 -85.53 -20.24 29.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -69.73 -53.19 19.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 110.128 176.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.462 0.648 . . . . 0.0 109.952 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -72.79 -28.65 62.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.574 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -66.27 -46.34 77.38 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.939 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.05 -45.69 93.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.946 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.81 -46.8 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 0.0 111.113 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -66.73 -37.79 85.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.12 -175.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.7 t -64.19 -42.82 96.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.34 -48.14 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.94 -20.44 65.22 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.05 0.452 . . . . 0.0 111.059 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -60.36 -36.72 78.67 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.453 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.83 -31.7 6.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.713 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -133.04 70.46 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.186 -173.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -84.77 -36.3 21.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.639 0.257 . . . . 0.0 111.412 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.7 m -62.65 -34.54 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.948 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.59 -33.75 76.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.17 -41.79 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -69.77 -37.9 76.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.826 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.89 67.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.452 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.467 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.0 t -56.5 -45.28 81.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.545 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 27.4 pt -85.83 -2.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.013 0.435 . . . . 0.0 110.702 -179.149 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.8 p -86.37 -170.25 3.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.816 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 69.5 m -59.57 -46.6 88.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.118 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.47 -44.29 84.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.41 -47.6 81.32 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.094 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.569 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.9 tp -57.79 -36.83 72.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.074 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 8' ' ' THR . 57.2 mt-30 -58.16 -40.73 82.16 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.951 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 51.3 ttt180 -66.11 -46.12 78.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 177.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -62.24 -33.44 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.026 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 17.2 mtt180 -60.03 -53.32 59.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -52.59 -52.02 57.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.466 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.8 mt-10 -64.23 -31.6 72.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.838 -176.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.456 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 97.8 m -76.52 -32.86 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.773 175.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.17 -51.52 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 p -65.84 -31.54 72.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.718 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -76.39 -50.02 15.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.4 mt -82.83 4.52 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 111.805 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t30 56.44 41.35 28.95 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.18 125.06 89.53 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.471 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -64.37 143.64 83.33 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.779 2.319 . . . . 0.0 111.49 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.49 -31.81 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.401 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.17 -54.26 32.96 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.5 m-85 -61.9 -36.96 82.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.24 -44.43 87.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.802 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.3 mt-10 -61.3 -35.59 77.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.21 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -69.94 -45.74 66.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.245 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 17.7 m-85 -58.03 -41.54 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.964 0.411 . . . . 0.0 111.375 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -63.52 -27.46 69.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.374 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -96.72 21.97 8.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.438 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 99.4 m95 53.21 44.74 29.81 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.024 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.58 114.22 18.45 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.84 93.67 46.78 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -173.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.5 147.43 86.31 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.625 2.217 . . . . 0.0 113.131 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.54 84.51 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.191 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 44' ' ' MET . 21.2 t70 -157.36 147.2 20.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.71 -31.31 47.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.342 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.9 m -57.25 -57.88 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.148 0.499 . . . . 0.0 110.634 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.3 m -59.39 -36.36 75.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.413 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 61.2 mtt -63.34 -52.1 63.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.359 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.402 ' CA ' ' HB3' ' A' ' 98' ' ' CYS . 0.7 OUTLIER -75.58 -23.13 56.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.516 -177.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.6 -46.43 87.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.18 -40.03 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.886 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -61.96 -48.92 78.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 t -57.53 -48.33 79.58 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.376 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.33 -47.44 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 121.049 0.452 . . . . 0.0 111.216 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.421 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -64.23 -27.86 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.07 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.07 -37.31 46.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.893 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 24.2 mtpp -71.46 -27.54 63.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -87.92 1.34 54.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.079 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 56.23 49.87 14.52 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mt -121.33 -19.84 6.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.872 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.421 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 68.9 t80 -137.07 132.12 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.106 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.33 135.4 45.04 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.02 -19.63 65.92 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 111.303 -172.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.7 m -100.16 -59.44 1.71 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.985 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -82.11 -17.53 46.12 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.46 -154.55 21.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.224 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -59.87 122.34 11.26 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.085 2.523 . . . . 0.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 mt -86.26 89.53 7.88 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 69' ' ' VAL . 79.2 t -51.06 -41.98 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.727 -173.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.84 -51.77 68.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.201 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.43 -34.73 78.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.463 . . . . 0.0 110.389 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.57 -47.51 85.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.24 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 65' ' ' VAL . 95.7 t -65.8 -41.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.309 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.72 -30.72 69.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.083 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.259 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 74' ' ' HIS . 93.9 mt -64.52 -42.45 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.95 32.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' A' ' 72' ' ' LEU . 50.4 t-80 -68.3 89.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.876 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 30.46 13.45 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.205 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -146.94 178.15 8.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 111.547 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.74 107.83 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.24 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.364 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.37 -47.69 84.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.2 tt0 -63.1 -49.26 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.3 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.72 -46.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -54.54 -44.81 73.17 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.759 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.1 m -62.13 -53.1 60.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.189 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.6 mt-10 -59.52 -35.98 75.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.713 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.38 -51.01 73.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.601 0.239 . . . . 0.0 111.173 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.47 -32.62 67.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.66 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.83 -8.54 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.06 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.6 m -114.56 -7.64 12.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.173 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.27 108.66 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.335 0.588 . . . . 0.0 110.138 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.89 172.11 7.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.342 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -100.98 163.43 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.013 0.435 . . . . 0.0 110.862 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.533 ' HB2' ' CD2' ' A' ' 100' ' ' TRP . 58.5 t30 -85.36 64.09 8.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.606 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.9 p -74.34 -20.27 60.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.6 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.4 -11.07 56.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.117 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.34 25.53 10.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.506 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.7 114.61 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.33 70.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.402 ' HB3' ' CA ' ' A' ' 45' ' ' CYS . 39.5 m -62.13 -40.26 95.32 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.115 0.483 . . . . 0.0 110.226 177.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -80.88 -26.81 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.745 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.533 ' CD2' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -63.31 -56.81 13.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.666 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.78 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.729 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 71.8 t80 -66.02 -34.0 77.09 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.072 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -68.23 -39.31 82.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.65 0.262 . . . . 0.0 110.496 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.06 -46.49 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.527 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -65.87 -48.3 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -60.85 -42.9 98.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.421 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.69 -42.93 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.169 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -74.18 -46.78 39.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.66 -9.82 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -64.5 -36.53 84.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.997 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.29 -14.88 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -126.13 51.74 1.76 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.9 tp -83.5 -28.17 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.609 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 t -66.29 -32.23 73.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.1 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.94 -34.35 75.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.142 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.66 -40.83 87.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.207 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.34 -34.71 78.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.516 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.06 -31.26 62.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.423 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.8 t -59.06 -41.3 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.669 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.9 pt -92.72 0.82 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.135 0.493 . . . . 0.0 111.137 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.873 -178.387 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.9 p -81.81 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.881 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m -58.32 -41.56 84.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.921 0.391 . . . . 0.0 110.924 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.29 -44.53 96.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.041 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -64.96 -40.53 95.13 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.044 0.449 . . . . 0.0 109.97 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.7 tp -58.68 -43.58 90.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.52 -175.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.13 -31.14 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 -175.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -70.45 -40.67 73.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.341 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.64 -37.4 82.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.596 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 25.3 mtm180 -64.95 -39.1 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.5 m -66.56 -45.76 78.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -54.82 -40.44 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.528 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.96 -31.64 50.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.579 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.49 -52.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 0.0 110.516 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -66.63 -31.86 72.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.43 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 t -75.28 -48.6 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.714 0.292 . . . . 0.0 110.973 -176.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 54.6 39.98 31.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.244 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.55 122.28 81.13 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.69 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.63 143.04 91.87 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.827 2.351 . . . . 0.0 111.271 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.01 -32.68 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.202 -177.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.73 -55.26 14.57 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.701 0.626 . . . . 0.0 111.128 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.13 -36.93 85.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.694 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.41 -42.14 86.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.659 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.4 mt-10 -58.44 -35.61 72.39 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 110.469 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -67.31 -48.8 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.685 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -60.66 -31.85 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.949 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HA ' HH22 ' A' ' 15' ' ' ARG . 34.9 tttm -71.19 -10.06 59.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -119.72 21.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 57.68 44.95 19.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.227 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -119.05 116.02 25.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.007 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.86 84.7 49.98 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.08 148.53 88.93 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.46 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -73.46 90.02 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.977 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.562 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.6 t70 -154.98 145.98 22.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.087 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.95 -25.56 66.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.746 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -62.64 -57.85 9.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.9 m -55.77 -35.78 66.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.26 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.565 ' HG2' ' CG ' ' A' ' 102' ' ' PHE . 66.2 mtt -65.35 -51.16 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.41 -176.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 85.5 m -64.29 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -62.49 -41.45 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.023 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.621 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.0 OUTLIER -63.25 -45.68 90.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.424 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -57.36 -47.73 80.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.132 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.27 -46.74 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.267 0.556 . . . . 0.0 110.856 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.424 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 4.0 m-30 -65.29 -25.18 67.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.725 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -79.86 -37.83 34.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.845 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -69.38 -27.66 65.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.3 mtp -91.51 5.62 48.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.516 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 55.98 46.96 20.88 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.254 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.49 -18.15 6.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.222 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 78.4 t80 -140.27 139.44 35.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.577 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -118.67 140.83 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.04 -10.12 59.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.886 0.374 . . . . 0.0 111.669 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m -110.51 -57.21 2.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.156 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.55 -8.63 59.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.016 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.56 -154.98 36.93 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.638 -0.792 . . . . 0.0 113.067 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.77 121.99 10.88 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.093 2.529 . . . . 0.0 111.837 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -83.3 90.27 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.121 0.486 . . . . 0.0 109.743 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 t -50.24 -44.92 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.574 -173.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.08 -55.26 37.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.5 0.191 . . . . 0.0 111.364 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.7 -35.12 77.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 65' ' ' VAL . 87.5 t -70.53 -44.73 76.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -62.29 -24.82 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 111.512 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -89.83 -60.26 1.98 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.041 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 74' ' ' HIS . 95.9 mt -63.77 -46.11 86.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.265 -175.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.76 34.06 0.1 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.424 ' H ' ' C ' ' A' ' 72' ' ' LEU . 48.9 t-80 -69.98 84.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.36 37.7 5.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.859 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -154.66 165.12 37.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.535 0.207 . . . . 0.0 110.816 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.32 107.92 1.0 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.658 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.18 71.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.975 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.11 -39.22 89.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -48.51 71.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.52 -48.09 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.845 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -53.04 -40.41 63.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.3 m -65.01 -55.51 18.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.715 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.3 -27.62 69.45 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.51 -50.2 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.856 0.36 . . . . 0.0 110.587 171.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.5 mt -58.09 -31.0 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.778 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.14 -19.35 65.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.189 0.518 . . . . 0.0 110.687 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -104.59 -9.48 18.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.966 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -77.45 105.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.124 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -103.57 170.46 7.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.229 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -90.82 153.35 20.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.536 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -79.23 64.71 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.1 p -80.73 -15.67 55.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.303 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.35 -24.25 50.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.7 t30 59.35 32.96 22.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.049 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -149.65 117.55 6.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.681 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.15 77.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.078 -174.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.621 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 66.1 m -62.55 -46.92 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.741 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -76.15 -28.74 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.034 0.445 . . . . 0.0 110.273 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -66.71 -56.24 11.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.62 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.84 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.306 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 79.7 t80 -65.32 -35.3 80.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.251 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 103' ' ' ARG . 38.3 ttp180 -74.58 -32.51 62.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.99 -44.66 97.05 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.239 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -68.03 -48.21 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.604 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -56.4 -50.1 72.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.386 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -56.48 -45.01 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -74.9 -45.92 39.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.093 -174.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -67.69 -16.8 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.369 . . . . 0.0 111.274 -178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.25 -30.04 70.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.809 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -121.62 -24.91 5.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.1 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.417 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.5 m-20 -134.36 60.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 111.591 -172.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.6 -31.07 22.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.863 0.363 . . . . 0.0 110.713 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -63.85 -33.2 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.6 tp -68.51 -36.58 79.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.156 0.503 . . . . 0.0 109.993 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 112' ' ' ASN . 60.8 mt -64.5 -44.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.48 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.4 -33.34 48.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.202 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 90.2 p -64.0 -32.66 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 34.9 pt -91.09 0.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.481 . . . . 0.0 110.754 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.589 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -75.17 173.59 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.293 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.4 m -53.01 -47.39 68.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.663 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.24 -50.53 71.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.614 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -60.01 -41.16 91.52 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.133 0.492 . . . . 0.0 109.839 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 60.1 tp -63.93 -38.76 92.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.025 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.18 -33.12 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.355 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.622 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 79.7 ttt180 -61.76 -60.66 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.411 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -60.35 -37.55 81.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.539 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -64.09 -40.7 96.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.181 -177.198 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -68.58 -43.06 77.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.1 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 27.6 mm-40 -54.98 -49.78 70.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.317 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.9 -54.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -69.22 -18.36 63.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.611 -176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 m -88.95 -47.9 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.286 -0.258 . . . . 0.0 111.042 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.52 10.9 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m120 55.97 38.12 29.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.2 mm -70.66 120.57 79.77 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.12 140.14 93.7 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.685 2.257 . . . . 0.0 111.999 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.72 -31.57 62.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.565 -177.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.4 m-20 -53.12 -51.02 63.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.224 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 29.6 m-85 -60.33 -40.25 89.98 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.094 177.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.99 -45.89 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.482 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -61.06 -37.16 81.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.309 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 92.7 mttt -64.42 -43.35 94.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.795 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 16.3 m-85 -60.04 -32.69 71.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -66.84 -22.61 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.254 0.549 . . . . 0.0 110.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -100.95 17.32 22.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.964 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.4 m95 54.1 39.85 31.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.799 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -113.0 109.6 19.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.045 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -115.72 90.81 27.94 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.135 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -54.74 140.03 77.29 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.333 2.022 . . . . 0.0 112.136 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.28 85.77 1.43 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.185 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -150.68 145.18 25.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.703 -177.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.54 -35.39 53.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.408 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -59.84 -51.68 68.67 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.063 0.459 . . . . 0.0 110.729 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -61.72 -33.05 73.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.837 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 63.0 mtt -69.94 -49.79 48.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.5 -174.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.45 -30.43 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.307 . . . . 0.0 110.289 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.18 -51.29 69.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -59.16 -37.77 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.828 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.63 -50.21 73.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.46 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -59.37 -47.65 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.407 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.56 -50.38 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.209 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.07 -25.83 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.875 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -78.73 -39.52 36.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.29 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -75.33 -20.1 59.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.184 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 80.5 mtp -89.33 6.04 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 176.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 55.83 44.23 26.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.432 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt -122.34 -18.54 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.188 -175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 101' ' ' ALA . 71.7 t80 -143.7 142.44 30.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.753 178.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.589 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 31.3 t70 -130.27 143.71 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.41 -12.24 60.02 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.134 0.492 . . . . 0.0 110.884 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.589 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 38.8 m -97.13 -62.2 1.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.227 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.3 -18.31 52.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.92 -155.86 28.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.468 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.7 122.41 11.6 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 123.021 2.481 . . . . 0.0 111.484 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.84 85.72 6.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 94.3 t -48.1 -44.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.494 -173.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -58.9 -53.56 56.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.749 0.309 . . . . 0.0 111.327 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.87 -32.38 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.559 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.04 -45.83 91.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.49 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.77 -41.73 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -53.94 -37.97 64.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.338 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.448 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 61.6 tp60 -86.93 -59.13 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.639 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.456 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 96.0 mt -65.21 -46.74 79.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.76 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.434 ' H ' ' C ' ' A' ' 72' ' ' LEU . 50.5 t-80 -69.45 92.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.065 0.459 . . . . 0.0 110.121 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.12 26.35 19.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.954 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -145.19 161.41 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.585 0.231 . . . . 0.0 110.421 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.87 109.69 0.77 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.839 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.92 80.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.727 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.05 -37.8 88.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 111.493 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 1.8 mp0 -61.88 -49.8 74.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.333 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.08 -46.26 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.955 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -52.19 -44.7 64.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.4 m -61.86 -52.33 64.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.985 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 31.1 mt-10 -57.24 -41.85 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.298 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.483 ' O ' HG22 ' A' ' 89' ' ' VAL . 33.4 t -58.68 -49.89 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.071 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.29 -28.08 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.6 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.85 -6.82 52.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.245 0.545 . . . . 0.0 110.815 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.8 m -113.35 -11.09 13.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.293 177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 85' ' ' VAL . 99.2 t -79.58 132.93 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.952 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -152.52 174.47 13.87 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -89.8 151.76 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.783 0.325 . . . . 0.0 110.783 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.447 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 56.5 t30 -77.06 72.03 3.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.45 0.643 . . . . 0.0 110.795 -177.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 p -80.97 -14.87 57.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.343 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -81.87 -17.17 48.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 66.01 19.63 11.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.516 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.32 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.9 70.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.849 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.23 -41.93 97.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.704 0.287 . . . . 0.0 110.287 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.672 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 32.3 t-80 -77.33 -29.81 53.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.447 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 8.8 t90 -60.38 -56.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.464 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . . . -62.5 -37.12 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.452 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 71.7 t80 -66.34 -32.11 73.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.136 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.672 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 41.2 mtm180 -67.59 -45.89 74.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.44 96.11 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.755 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -66.58 -46.69 75.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.863 0.363 . . . . 0.0 111.056 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -69.24 -37.11 77.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.239 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.456 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 37.9 t80 -76.46 -50.2 14.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.94 -22.77 65.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.39 -34.18 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -129.53 64.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.425 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -86.2 -30.84 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.183 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -65.88 -35.25 80.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.1 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.331 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.25 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.27 -46.39 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.589 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.72 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.681 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.448 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.7 t -59.16 -45.63 90.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.554 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -86.68 0.03 6.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.119 0.485 . . . . 0.0 111.208 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.325 177.8 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -80.91 -172.71 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.607 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 13.7 m -59.61 -39.12 83.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.0 -53.99 50.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.38 -39.57 93.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 66.0 tp -60.5 -35.0 74.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.35 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 8' ' ' THR . 26.6 mm-40 -66.32 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 0.0 110.673 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -63.29 -55.85 21.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.659 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -63.55 -37.16 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.142 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -66.6 -38.02 86.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.766 -178.39 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -65.72 -48.39 72.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -50.02 50.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.97 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.9 m -68.54 -36.36 78.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.69 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.91 -49.36 80.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.291 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -62.19 -34.77 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.473 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -81.4 -47.77 12.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.38 8.97 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 m120 55.69 34.45 23.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.568 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.8 mm -64.56 120.37 65.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.301 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -62.29 141.98 89.62 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.606 2.204 . . . . 0.0 111.514 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.04 -31.06 60.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.37 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -54.18 -50.42 67.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.252 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.2 m-85 -61.52 -37.97 85.68 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.233 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.29 -42.57 84.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.5 mt-10 -64.08 -32.88 74.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.761 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.98 -51.93 54.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.445 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 11.5 m-85 -59.09 -34.6 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.759 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -62.83 -27.01 69.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.75 11.42 38.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.7 m95 62.01 46.79 6.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.33 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.11 110.42 15.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.199 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -114.92 94.91 39.85 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.206 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -64.28 151.76 84.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.733 2.289 . . . . 0.0 112.59 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -77.27 87.53 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.017 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.6 t70 -151.17 145.78 25.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.939 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.56 -25.35 67.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.691 -173.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -63.22 -56.24 18.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.436 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 m -56.47 -36.77 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.43 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.25 -49.95 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.686 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.96 -30.34 70.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.495 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.432 ' O ' HG23 ' A' ' 50' ' ' VAL . 30.7 t80 -59.91 -49.42 77.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 175.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.04 -38.15 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.1 tmmm? -58.39 -56.55 20.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -56.4 -48.2 77.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.699 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 46' ' ' TYR . 76.5 t -61.42 -49.13 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.268 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.423 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -64.24 -28.01 69.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.803 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -77.26 -42.63 36.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.38 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -69.55 -29.41 66.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.773 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.7 mtp -83.52 5.79 22.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.501 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 56.35 41.06 29.52 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.427 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.08 -16.29 10.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.644 -175.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.423 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.8 t80 -145.34 137.33 25.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.474 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 32.0 t70 -124.61 146.08 49.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.286 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.64 -11.24 60.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.745 0.307 . . . . 0.0 111.345 -175.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.474 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 41.8 m -100.23 -65.76 0.95 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.097 176.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -74.19 -16.18 60.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 -145.8 28.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.098 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.67 119.94 7.1 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.503 2.136 . . . . 0.0 111.942 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.27 93.3 5.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.079 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' HG21 ' A' ' 69' ' ' VAL . 72.0 t -51.54 -44.47 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.862 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.85 -52.11 67.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.565 0.221 . . . . 0.0 111.568 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.51 -33.22 73.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.541 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.8 -45.5 94.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.0 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 65' ' ' VAL . 97.8 t -69.83 -41.18 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.958 177.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -63.86 -27.77 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -90.37 -60.13 2.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.737 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 108' ' ' PHE . 90.1 mt -62.67 -44.85 95.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.38 33.41 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.499 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.8 t-80 -74.36 82.81 1.92 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.602 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.0 6.52 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.183 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.443 ' NH1' HD21 ' A' ' 115' ' ' LEU . 18.2 mtp180 -153.3 169.58 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.71 117.09 8.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.553 0.692 . . . . 0.0 110.997 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.494 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.66 -44.45 77.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 110.726 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.18 -48.35 78.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.356 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.2 -45.47 80.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.425 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -51.43 -47.55 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -63.39 -48.61 77.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.132 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.38 -43.17 78.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' ' 89' ' ' VAL . 36.3 t -58.82 -50.0 80.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.659 0.266 . . . . 0.0 111.05 176.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.73 -29.43 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.727 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.52 -10.62 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.896 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -112.29 -9.4 13.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 85' ' ' VAL . 94.4 t -79.18 106.83 10.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.95 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.099 0.476 . . . . 0.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -87.72 155.78 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.062 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -81.7 72.4 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.248 0.547 . . . . 0.0 110.73 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.0 p -89.09 -12.27 41.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.378 0.609 . . . . 0.0 109.998 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' HH12 ' A' ' 103' ' ' ARG . 4.1 m-20 -75.69 -26.63 57.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.098 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 61.71 27.21 16.66 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.723 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -147.56 110.06 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.727 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.01 71.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.85 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 64.3 m -62.4 -40.4 96.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.685 0.279 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.26 -28.61 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.29 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -65.34 -55.18 19.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.305 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.42 86.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.415 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 77.4 t80 -66.8 -34.35 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.419 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.428 HH12 ' CG ' ' A' ' 94' ' ' ASP . 38.1 ttp-105 -71.51 -35.88 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.191 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.22 -46.35 93.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.496 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -65.9 -46.76 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.915 0.388 . . . . 0.0 110.875 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -65.95 -37.0 84.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.069 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.69 -40.73 98.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.272 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.502 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 36.4 t80 -77.18 -48.88 16.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.572 -173.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -64.81 -23.57 67.28 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 120.717 0.294 . . . . 0.0 111.351 -176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -64.0 -21.88 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.788 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -116.55 -34.88 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.568 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -132.95 70.1 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.278 -170.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.1 tp -88.68 -33.04 17.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.35 . . . . 0.0 111.273 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -62.86 -35.51 80.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 109.902 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.443 HD21 ' NH1' ' A' ' 76' ' ' ARG . 31.5 tp -64.64 -35.83 82.29 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.77 -41.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.071 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.31 -36.38 81.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.714 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.67 45.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.394 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.2 p -70.84 -30.94 67.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.5 pt -97.74 -6.31 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.283 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 120.783 0.325 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.489 HG23 ' OD2' ' A' ' 10' ' ' ASP . 11.7 t -79.64 -177.42 5.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -51.5 -51.68 53.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.67 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.489 ' OD2' HG23 ' A' ' 7' ' ' THR . 9.0 m-20 -58.61 -41.36 85.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.12 -41.91 99.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.948 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.178 0.513 . . . . 0.0 110.39 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.4 ttm180 -64.71 -50.89 65.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.632 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.95 -34.1 77.22 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.937 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.99 -46.62 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.77 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -61.96 -47.8 83.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.666 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.66 -31.3 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -82.8 -35.32 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.15 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -66.5 -53.83 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -68.87 -17.32 63.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.328 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -90.75 -47.85 7.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.045 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -84.28 11.3 8.55 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.91 40.18 29.02 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.268 0.556 . . . . 0.0 110.934 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.7 mm -74.36 120.2 80.25 Favored Pre-proline 0 N--CA 1.452 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.179 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.53 141.68 95.98 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.811 2.341 . . . . 0.0 111.708 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.65 -34.26 61.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.631 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.79 -46.48 84.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -60.58 -38.4 84.49 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.351 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.72 -41.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.276 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.3 mt-10 -67.46 -30.28 69.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -63.68 -49.17 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.283 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.2 -34.64 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.363 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -62.42 -33.7 75.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -89.88 17.63 6.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.194 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.438 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.5 m95 55.24 38.69 30.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.166 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -113.81 110.51 20.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.251 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.7 90.69 32.34 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.526 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.31 143.69 85.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.338 2.026 . . . . 0.0 112.402 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.06 78.32 3.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.815 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.7 t70 -144.18 148.88 35.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.45 -174.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.18 -42.55 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.226 0.329 . . . . 0.0 111.721 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -53.37 -57.23 11.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.307 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 m -60.06 -34.66 73.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.394 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -64.72 -52.15 58.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.435 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -65.86 -29.99 70.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.673 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.526 ' O ' HG11 ' A' ' 50' ' ' VAL . 36.8 t80 -60.46 -51.63 68.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.15 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -57.74 -42.89 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.821 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.61 -45.75 91.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.42 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -60.36 -47.85 84.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.989 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.526 HG11 ' O ' ' A' ' 46' ' ' TYR . 0.9 OUTLIER -71.76 -27.62 28.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.0 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.518 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.0 m-30 -68.37 -27.02 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.36 -43.14 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.681 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 50' ' ' VAL . 58.2 mmtt -62.71 -32.64 73.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.612 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.7 mtp -91.71 0.19 57.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 58.49 48.68 11.71 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.338 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.94 -13.78 7.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.55 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.518 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 82.6 t80 -139.89 141.9 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -123.89 147.2 47.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -65.2 -21.3 66.74 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.4 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.2 m -103.57 -66.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.649 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -69.83 -13.4 62.25 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.73 -145.84 30.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.117 -1.039 . . . . 0.0 111.842 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.29 121.9 10.5 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.681 2.254 . . . . 0.0 111.672 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.11 89.0 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.875 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 69' ' ' VAL . 84.1 t -50.43 -44.36 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.933 -1.031 . . . . 0.0 112.736 -173.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.47 -52.03 66.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.74 -34.27 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.323 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.16 -47.37 86.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.269 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -66.86 -42.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.81 -30.41 68.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.987 0.422 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 108' ' ' PHE . 93.2 mt -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.475 -174.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.22 32.84 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.492 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.1 t-80 -72.64 88.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.745 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.56 20.34 15.35 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.257 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' NH1' HD22 ' A' ' 115' ' ' LEU . 12.3 mtp180 -146.96 169.59 18.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.292 0.568 . . . . 0.0 111.886 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 81' ' ' VAL . 7.5 m-20 -65.27 109.56 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.159 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.85 90.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.671 -175.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.35 -33.2 74.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.176 0.512 . . . . 0.0 110.658 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 2.5 mp0 -71.11 -45.92 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 77' ' ' ASP . 69.9 t -55.58 -45.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.363 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -52.14 -43.71 64.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.176 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -65.39 -50.27 66.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.062 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 30.3 mt-10 -56.97 -43.66 81.85 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.208 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.1 t -58.38 -48.97 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-O 120.68 0.276 . . . . 0.0 111.434 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.81 -28.58 66.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.786 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -75.48 -9.58 58.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 110.889 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.3 m -111.7 -11.7 13.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.719 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.74 105.7 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.672 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.24 175.52 5.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.657 -176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -101.26 151.51 21.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.69 0.281 . . . . 0.0 110.985 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.17 70.37 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.503 0.668 . . . . 0.0 110.721 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 p -81.59 -20.52 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.595 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.44 -9.03 57.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.297 0.57 . . . . 0.0 110.664 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.17 37.27 20.85 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.917 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -152.43 120.17 6.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.906 -176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.5 -32.84 74.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.01 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.9 m -60.58 -40.52 92.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.883 0.373 . . . . 0.0 110.405 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -82.41 -28.44 31.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.086 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -66.08 -52.87 44.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.138 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.38 84.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 75.6 t80 -66.71 -34.52 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.865 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.27 -39.89 89.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.207 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.58 81.08 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.79 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -63.05 -48.07 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.727 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -62.73 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.4 t -62.87 -43.41 98.86 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.198 0.523 . . . . 0.0 110.877 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 22.6 t80 -74.8 -42.1 58.73 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.006 -172.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -7.06 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 111.308 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -86.65 -20.01 28.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -128.99 -16.19 4.13 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.01 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.532 ' O ' HG13 ' A' ' 116' ' ' ILE . 14.4 m-80 -147.35 68.07 1.14 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.373 0.269 . . . . 0.0 110.971 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.3 tp -83.39 -36.14 24.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.08 0.467 . . . . 0.0 110.767 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 m -62.66 -35.94 81.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.14 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.4 HD22 ' NH1' ' A' ' 76' ' ' ARG . 49.1 tp -66.36 -35.14 79.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.394 177.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 112' ' ' ASN . 59.5 mt -66.3 -42.61 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.121 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.438 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.7 mttt -64.34 -40.72 96.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.592 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.89 -20.02 58.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.32 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.423 ' HA ' ' HB3' ' A' ' 74' ' ' HIS . 82.6 p -71.35 -34.73 70.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.7 pt -96.93 -10.94 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 117' ' ' LYS . 16.8 tptm . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.309 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -75.12 -174.72 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.061 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.538 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 11.5 m -59.52 -43.14 93.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.097 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.33 -46.65 87.74 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.87 -39.82 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.077 0.465 . . . . 0.0 110.212 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 67.4 tp -64.16 -41.12 97.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.171 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 8' ' ' THR . 22.1 mt-30 -67.4 -22.72 65.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.278 0.561 . . . . 0.0 110.116 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.604 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 31.7 ttm180 -70.92 -62.48 1.38 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.69 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -59.06 -38.42 79.36 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.573 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.46 -36.82 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.591 -175.453 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -69.53 -42.33 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 0.0 110.577 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.1 mm-40 -56.61 -50.65 71.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.131 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -64.43 -37.27 86.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.62 -53.04 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 120.896 0.379 . . . . 0.0 110.714 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 t -64.18 -36.99 85.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.289 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -75.63 -48.09 23.66 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.54 10.85 8.06 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -173.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.76 38.61 27.44 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.361 0.601 . . . . 0.0 111.063 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -73.17 122.34 87.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.209 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.03 143.55 91.07 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.822 2.348 . . . . 0.0 112.11 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.57 63.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.339 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.75 -52.57 63.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.9 175.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.2 -40.5 94.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.242 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.3 -40.93 82.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.083 0.468 . . . . 0.0 110.819 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -38.22 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.365 177.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.72 -48.09 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.477 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -57.63 -24.25 55.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.264 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -64.77 -31.06 72.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.431 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -107.88 30.7 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.7 m95 51.55 41.04 28.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.33 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -105.42 109.19 21.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.971 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -115.97 91.67 32.12 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.5 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.66 140.67 94.24 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 112.074 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.59 89.45 3.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.69 0.757 . . . . 0.0 109.814 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.3 t70 -155.6 145.22 21.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.018 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.55 -29.98 39.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.243 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 m -58.04 -59.16 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.447 ' O ' HG12 ' A' ' 47' ' ' ILE . 19.1 m -57.72 -34.57 69.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.975 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -68.16 -51.18 48.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.769 -174.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.512 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 72.9 m -64.91 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -63.87 -47.51 80.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.57 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 43' ' ' THR . 28.1 mm -59.34 -41.79 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.789 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -66.0 -43.96 86.2 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.673 -178.512 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.96 -44.09 82.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 111.073 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.11 -49.09 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.203 0.525 . . . . 0.0 110.699 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -65.18 -22.99 66.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.854 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -76.78 -44.12 34.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.177 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -72.81 -24.77 60.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.05 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.2 mtp -86.99 4.94 39.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.028 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 56.2 50.49 13.36 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.297 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD13 ' HG2' ' A' ' 71' ' ' GLN . 6.8 mt -126.56 -20.49 4.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.777 -174.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -138.11 139.35 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -121.57 141.43 51.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.524 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.21 -23.6 67.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.545 -175.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -95.93 -64.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.644 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -73.76 -16.31 61.17 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.64 -146.06 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.204 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.58 124.88 16.79 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.872 2.381 . . . . 0.0 111.934 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.8 95.36 10.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.106 0.479 . . . . 0.0 109.925 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 69' ' ' VAL . 77.3 t -51.71 -46.61 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.838 -1.074 . . . . 0.0 113.136 -172.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.86 -52.25 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.686 0.279 . . . . 0.0 111.301 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.472 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 4.7 m-20 -62.93 -33.22 74.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.713 0.292 . . . . 0.0 110.324 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.41 -44.69 95.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.167 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 65' ' ' VAL . 74.7 t -68.31 -47.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -66.24 -17.74 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 111.388 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 67' ' ' ASN . 3.4 tp-100 -90.48 -60.44 1.92 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.268 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 74' ' ' HIS . 98.7 mt -69.08 -40.04 78.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.911 -173.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.75 33.2 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.477 ' H ' ' C ' ' A' ' 72' ' ' LEU . 34.9 t-80 -72.11 87.03 1.06 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.923 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.87 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.502 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HD2' HD11 ' A' ' 115' ' ' LEU . 24.7 mtt180 -149.01 168.43 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 111.242 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.441 ' O ' HG22 ' A' ' 81' ' ' VAL . 32.4 m-20 -61.48 105.84 0.57 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.101 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.65 67.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.974 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.56 -44.23 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.89 -42.78 94.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.101 0.477 . . . . 0.0 109.879 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 77' ' ' ASP . 95.7 t -57.72 -47.43 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.445 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -57.82 -45.21 86.48 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.73 0.3 . . . . 0.0 110.488 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 m -58.89 -52.76 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.106 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -57.26 -42.32 81.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.767 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.492 ' O ' HG22 ' A' ' 89' ' ' VAL . 37.9 t -59.67 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.6 -31.23 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.456 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -73.0 -6.61 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.044 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.8 m -113.17 -13.91 12.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 85' ' ' VAL . 57.2 t -85.13 131.22 34.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.711 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -160.15 -178.19 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.579 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.515 ' HB3' ' HZ3' ' A' ' 91' ' ' LYS . 4.6 mtpm? -71.46 152.34 43.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 112.563 -171.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.507 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 0.9 OUTLIER -76.41 64.23 2.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.639 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -64.74 -24.01 67.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.599 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.74 -9.14 59.83 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.891 0.377 . . . . 0.0 110.69 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 56.39 23.78 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -133.67 117.75 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.03 77.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.343 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.55 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 86.3 m -63.55 -43.33 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -78.24 -26.92 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.507 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 12.4 t90 -68.76 -52.73 27.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.441 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.562 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.557 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 81.1 t80 -65.56 -33.93 77.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.789 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -63.79 -46.17 86.39 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.346 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.08 97.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.755 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -68.21 -46.7 69.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -64.25 -41.09 97.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.137 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.1 t -62.96 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -75.39 -47.71 26.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.114 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -67.83 -11.13 57.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.477 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.23 -34.21 76.98 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.98 -15.45 4.8 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.271 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -128.19 55.44 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.737 0.304 . . . . 0.0 111.28 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.2 tp -83.0 -32.98 26.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.6 t -60.36 -36.5 78.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.496 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.405 HD11 ' HD2' ' A' ' 76' ' ' ARG . 46.3 tp -65.98 -35.05 79.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.4 mt -67.58 -37.81 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.322 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.76 -36.43 78.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.845 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.08 -30.24 62.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.405 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.6 t -56.48 -47.4 79.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.314 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.4 pt -90.95 3.11 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.789 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 -177.926 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.514 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 40.6 m . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -86.09 177.84 7.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.535 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -60.03 -41.58 92.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 109.888 177.593 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -54.19 -45.34 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.866 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.25 -40.07 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.225 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.0 tp -65.13 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 8' ' ' THR . 35.1 mt-30 -70.65 -23.44 62.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.6 ttm180 -75.49 -51.14 13.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.409 178.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.1 -30.82 71.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.927 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.503 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 40.1 mtt180 -52.53 -45.46 66.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.006 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -63.8 -52.41 60.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.76 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.91 -41.08 97.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.45 -34.92 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.62 -53.6 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -65.67 -39.17 91.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.469 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -72.84 -44.06 61.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.553 0.216 . . . . 0.0 111.218 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -87.9 10.56 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t30 54.19 41.96 31.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.236 0.541 . . . . 0.0 110.795 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.5 mm -72.1 115.92 43.47 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.459 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -61.94 144.76 96.83 Favored 'Trans proline' 0 C--O 1.238 0.501 0 C-N-CA 122.956 2.437 . . . . 0.0 111.776 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.12 -35.26 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.431 -1.259 . . . . 0.0 112.468 -174.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.6 p30 -60.01 -38.12 81.72 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.189 0.306 . . . . 0.0 111.176 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.2 -39.52 82.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.653 0.264 . . . . 0.0 110.718 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.72 -44.62 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.218 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.7 mt-10 -61.97 -31.34 71.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 60.5 mttp -69.64 -46.16 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.01 -35.83 75.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.099 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -66.74 -17.71 65.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.375 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -108.13 17.06 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.8 m95 56.25 44.8 24.27 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.096 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -123.08 109.97 14.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.049 0.452 . . . . 0.0 110.249 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -114.09 97.8 46.33 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.125 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.23 148.56 69.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.603 2.202 . . . . 0.0 112.512 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -84.25 73.65 10.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.68 0.752 . . . . 0.0 109.53 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.658 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -142.84 157.07 44.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.258 -174.021 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -56.46 -41.43 76.52 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 m -55.55 -57.39 12.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.066 0.46 . . . . 0.0 111.191 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 m -58.13 -37.29 74.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.398 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.19 -45.25 77.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.266 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 74.4 m -68.45 -27.14 65.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.078 0.466 . . . . 0.0 110.722 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.503 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 34.0 t80 -64.17 -42.68 96.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.103 174.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.59 -40.74 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.923 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -62.35 -47.36 84.53 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.727 -178.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.2 -49.72 76.05 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.74 -47.3 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 120.919 0.39 . . . . 0.0 111.323 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.1 m-30 -64.61 -27.11 68.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -76.15 -42.23 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.86 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -69.65 -25.87 64.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.514 ' SD ' ' HB3' ' A' ' 6' ' ' SER . 46.0 mmm -82.33 2.08 33.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.703 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 53.98 46.58 25.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.242 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 HD13 ' HG2' ' A' ' 71' ' ' GLN . 8.6 mt -127.21 -19.44 4.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.358 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.9 t80 -140.76 137.89 33.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.696 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -118.56 140.97 49.05 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.67 -5.07 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.224 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.7 m -106.08 -62.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.24 -13.68 59.89 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.61 -156.2 31.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.081 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.37 122.86 12.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.109 2.54 . . . . 0.0 111.886 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.38 88.18 7.26 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 69' ' ' VAL . 97.7 t -50.7 -46.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.731 -1.122 . . . . 0.0 113.152 -171.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.73 -50.23 74.33 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.513 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -60.45 -36.29 77.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.192 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.19 -38.86 88.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.401 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 65' ' ' VAL . 62.1 t -72.92 -43.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.689 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -59.68 -29.55 68.16 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.977 0.418 . . . . 0.0 111.261 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.447 ' HG2' HD13 ' A' ' 56' ' ' LEU . 46.4 tp60 -88.62 -59.06 2.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.196 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.9 mt -67.94 -46.22 72.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.62 32.52 0.08 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.412 ' H ' ' C ' ' A' ' 72' ' ' LEU . 52.2 t-80 -73.55 97.28 2.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.986 0.422 . . . . 0.0 110.097 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.09 23.67 40.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.281 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -145.84 167.81 22.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' HG22 ' A' ' 81' ' ' VAL . 24.9 t70 -63.43 113.65 3.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.306 0.574 . . . . 0.0 111.219 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.17 72.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.993 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.89 -43.54 75.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.119 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.67 -43.9 92.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 77' ' ' ASP . 70.4 t -57.07 -50.36 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.359 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.71 -43.21 76.29 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.031 0.443 . . . . 0.0 110.667 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -64.14 -51.39 64.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.177 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -54.46 -41.96 70.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.357 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 89' ' ' VAL . 41.7 t -60.6 -54.94 28.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 176.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.37 -31.42 65.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.808 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -55.42 -28.24 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.563 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.15 13.06 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 85' ' ' VAL . 71.5 t -78.11 99.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 109.526 171.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -113.87 -177.68 3.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.864 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -100.13 163.3 12.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.477 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.7 t30 -75.87 68.86 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.771 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.2 p -77.87 -15.23 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.717 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.92 -11.72 35.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.498 . . . . 0.0 110.545 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.05 24.39 12.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.516 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -143.95 122.64 12.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.005 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.49 -24.58 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.817 -175.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.526 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 63.3 m -66.02 -44.02 85.92 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.291 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.45 -30.28 53.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.443 . . . . 0.0 109.877 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.477 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -66.75 -54.3 24.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.583 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 66.0 t80 -67.84 -30.99 70.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.52 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -62.45 -46.52 88.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 110.044 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.98 -46.19 82.94 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.127 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.65 -42.84 90.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.701 0.286 . . . . 0.0 110.913 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.8 -45.28 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.049 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.82 -49.84 74.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.491 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.451 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 23.4 t80 -66.93 -43.91 82.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.905 -171.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 1.4 pp0? -67.27 -26.61 66.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.28 -29.09 69.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -117.03 -27.9 6.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.67 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -134.78 60.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 0.0 111.15 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 109' ' ' GLN . 58.4 tp -82.69 -27.23 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -64.39 -35.92 82.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.014 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.7 tp -68.5 -33.95 75.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.1 -42.55 88.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.054 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -64.54 -42.1 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.378 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.81 95.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.467 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -57.26 -48.87 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.338 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.6 pt -90.8 1.86 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.529 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.464 ' HZ1' ' HB3' ' A' ' 121' ' ' LYS . 7.0 ttpm? . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 120.554 0.216 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 p -77.72 178.15 7.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.08 -40.89 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 0.0 110.883 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.14 -33.53 74.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -80.24 -38.05 31.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.979 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.88 -37.95 88.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.46 -176.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -64.9 -25.77 68.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 110.683 -178.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -70.38 -55.51 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.987 178.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.11 -34.62 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.49 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.414 ' O ' HG22 ' A' ' 19' ' ' VAL . 3.0 ttm180 -59.77 -47.51 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.219 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.9 m -68.12 -44.3 76.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 -179.04 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -40.39 86.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.691 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.69 -35.15 65.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.79 177.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 15' ' ' ARG . 4.1 t -60.94 -54.12 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 177.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -60.31 -36.43 77.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.446 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 t -78.37 -48.68 15.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.337 -175.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.32 9.88 11.96 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 m120 56.61 38.84 29.89 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.472 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.42 120.36 79.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.428 178.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -59.56 140.74 95.33 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.754 2.303 . . . . 0.0 111.736 177.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.94 -32.05 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.565 -177.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.26 -45.21 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.358 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.67 -36.96 85.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 176.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.4 -43.01 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.389 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.3 mt-10 -62.7 -29.28 70.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 178.269 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.2 mttm -68.69 -52.28 32.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 175.297 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -57.0 -42.01 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 -177.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -65.18 -17.79 64.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 9.4 ptmt -109.22 15.88 22.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.399 0.619 . . . . 0.0 109.835 178.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.9 m95 64.49 43.88 4.31 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.209 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -122.84 114.08 20.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.83 177.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -120.9 92.12 48.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.038 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -59.83 152.97 59.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.76 2.306 . . . . 0.0 112.736 178.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.31 84.39 1.92 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.998 176.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.657 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.2 OUTLIER -148.95 136.52 20.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.178 -172.632 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.06 -30.36 70.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.317 -173.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.601 ' HB ' ' OD2' ' A' ' 40' ' ' ASP . 89.2 m -61.91 -53.4 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.366 173.594 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.7 m -55.38 -35.83 65.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.267 176.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.657 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -67.24 -48.72 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.58 -175.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.6 m -66.21 -28.6 68.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.477 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.73 -50.72 71.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 175.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 mm -58.72 -39.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.66 177.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -58.41 -54.57 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.545 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.6 t -58.35 -46.46 86.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.722 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.94 -46.83 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.122 0.486 . . . . 0.0 110.861 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.69 -23.3 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.994 -179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -79.63 -43.82 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.276 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -70.47 -25.03 62.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.604 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.5 mtp -88.25 5.32 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.448 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 57.19 46.31 19.06 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.182 -178.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -123.19 -14.69 7.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.991 0.424 . . . . 0.0 111.588 -173.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -140.71 136.69 32.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.082 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -118.81 138.98 52.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.17 -20.03 65.73 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.44 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.49 -13.62 60.71 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.44 -146.69 26.3 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.058 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.22 122.08 11.18 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.037 2.491 . . . . 0.0 111.848 176.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 mt -83.07 92.27 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.089 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.1 t -50.71 -44.82 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.753 -174.565 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.33 -54.33 48.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.687 0.279 . . . . 0.0 111.194 -177.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -63.6 -33.65 76.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.236 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 65' ' ' VAL . 66.2 t -67.92 -43.34 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.546 176.646 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -58.26 -32.32 68.26 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.491 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.448 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 52.8 tp60 -87.15 -60.07 2.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.236 -178.358 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 74' ' ' HIS . 87.6 mt -65.85 -42.87 89.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.65 32.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' A' ' 72' ' ' LEU . 54.2 t-80 -68.94 89.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.888 179.544 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.9 27.98 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.351 -178.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -146.38 164.49 32.27 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.88 -0.188 . . . . 0.0 110.781 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 81' ' ' VAL . 17.0 m-20 -60.9 105.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.684 0.615 . . . . 0.0 111.334 -177.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.469 -175.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.06 -37.9 89.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -177.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.72 -46.53 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.004 176.209 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 77' ' ' ASP . 81.1 t -56.06 -48.22 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.33 178.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.04 -43.93 64.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.139 0.495 . . . . 0.0 110.794 176.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -67.95 -53.36 26.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.525 -176.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -56.27 -38.53 71.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.49 179.162 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.423 ' O ' HG21 ' A' ' 89' ' ' VAL . 28.9 t -61.01 -50.96 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.014 175.427 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.5 mt -57.57 -31.67 66.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.873 -178.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.29 -17.51 63.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.943 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.0 m -106.31 -8.48 17.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 85' ' ' VAL . 97.0 t -73.93 99.7 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -105.01 170.41 7.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.184 -175.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -86.68 151.26 23.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.791 -177.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -84.17 65.51 8.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.497 0.665 . . . . 0.0 110.038 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.7 p -74.42 -30.26 61.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.854 -178.371 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD1' ' A' ' 99' ' ' HIS . 5.1 p-10 -86.1 -6.21 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 110.743 -177.64 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 58.92 33.61 23.14 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.64 172.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.19 72.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.118 -172.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.78 -43.16 97.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.39 176.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.412 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 52.5 t-80 -78.76 -25.59 44.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.692 0.282 . . . . 0.0 110.432 -177.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -65.78 -53.08 45.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.972 177.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.66 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.245 177.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 73.4 t80 -69.28 -31.42 69.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.759 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -69.24 -40.44 77.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.248 -178.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.99 -45.96 84.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.752 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -64.52 -44.79 89.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -66.27 -39.18 89.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.244 -175.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.03 -41.91 98.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -75.65 -48.17 23.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.407 -171.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -67.12 -18.86 65.49 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.712 0.292 . . . . 0.0 111.153 -177.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.64 -33.84 75.85 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 110.594 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -114.93 -29.9 6.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.153 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -133.15 65.05 1.6 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.342 -171.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -83.9 -25.71 29.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 110.2 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.7 m -63.62 -39.18 93.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.597 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 tp -66.1 -35.92 81.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.392 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.04 -41.13 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.24 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.28 -45.91 89.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.954 178.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.23 -29.76 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.585 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.448 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 46.8 t -56.1 -43.11 77.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.981 -179.343 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.2 pt -92.4 1.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.923 0.392 . . . . 0.0 111.414 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.663 -179.583 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.448 -0.552 0 CA-C-O 120.859 0.362 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.9 p -77.57 179.43 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 177.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -54.74 -41.7 70.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 177.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.6 -43.17 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -178.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.73 -41.88 97.99 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.694 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.7 tp -58.63 -45.89 88.27 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.765 -178.562 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.53 -31.08 71.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.17 0.509 . . . . 0.0 110.719 -176.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -64.44 -49.3 72.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.501 177.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.94 -36.2 82.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.1 -177.16 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.694 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 29.8 mtm180 -64.83 -35.3 80.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.463 -179.58 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.2 m -64.91 -44.22 90.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 0.0 110.731 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -45.2 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 177.292 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.02 -34.05 77.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.882 178.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.73 -51.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 179.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 t -64.04 -40.26 95.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.444 -179.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -71.26 -44.63 64.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.653 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.13 9.9 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 m120 53.54 39.7 30.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.894 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.5 mm -66.43 118.14 50.73 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.6 147.83 94.45 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.173 2.582 . . . . 0.0 112.187 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -26.74 48.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.963 -178.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.73 -57.55 11.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.774 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -63.23 -39.95 96.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.609 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.88 -42.0 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.243 0.544 . . . . 0.0 110.693 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -33.43 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.519 178.617 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.582 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.9 mttm -65.59 -42.98 91.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.207 175.015 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -68.85 -11.31 60.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.863 -178.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -78.36 -23.09 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.811 174.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 16.1 ptmt -109.49 9.02 25.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.314 -179.201 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.5 m95 57.08 54.07 7.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.73 -175.058 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' O ' ' HD3' ' A' ' 38' ' ' PRO . 36.0 tt0 -119.68 110.78 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.62 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.18 91.19 22.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.498 -176.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 36' ' ' GLU . 26.3 Cg_exo -65.24 151.91 83.85 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.798 2.332 . . . . 0.0 112.591 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -75.46 91.66 2.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.764 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.0 t70 -156.01 142.36 18.44 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.335 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.15 -25.28 65.4 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.426 -175.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.3 m -59.45 -56.62 19.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.486 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.4 m -60.03 -34.74 73.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.158 178.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.5 mtt -67.19 -51.59 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.531 -174.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.1 m -65.81 -29.1 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.703 0.287 . . . . 0.0 110.603 178.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 29.0 t80 -60.86 -50.82 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 175.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.47 -40.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.823 178.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -61.52 -48.59 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.222 -178.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -57.91 -49.52 76.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.373 178.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.96 -47.2 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.367 0.603 . . . . 0.0 111.158 -177.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.9 m-30 -67.38 -27.11 66.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.993 -178.11 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -80.06 -39.31 30.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.564 -177.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -71.76 -30.83 66.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.0 mtm -82.24 4.84 21.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 175.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 53.91 48.54 21.02 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.596 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -117.85 -17.12 9.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.533 -177.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 101' ' ' ALA . 74.5 t80 -141.91 141.23 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.768 178.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.531 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 25.4 t70 -127.9 146.67 50.55 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.356 177.402 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.67 -9.81 59.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.211 -0.306 . . . . 0.0 111.34 -176.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.531 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 23.2 m -96.49 -64.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.124 176.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.54 -18.66 54.36 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.744 0.307 . . . . 0.0 111.646 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.22 -144.62 20.92 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.988 -175.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.38 123.51 11.58 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.295 1.997 . . . . 0.0 111.616 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -81.63 88.84 6.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.669 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.9 t -49.75 -44.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.517 -174.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.13 -51.44 69.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.756 -177.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.27 -35.37 77.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.516 178.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.78 -49.85 76.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.362 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.72 -37.25 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -61.95 -31.51 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 0.0 110.635 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -89.34 -57.16 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.942 -177.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -64.38 -44.2 92.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.53 -174.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.94 0.12 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -68.86 99.71 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.35 29.74 55.48 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.172 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -147.07 160.76 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -65.22 106.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.378 0.609 . . . . 0.0 111.751 -175.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.03 -32.58 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.065 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.21 -47.91 83.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.239 179.308 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.8 mt-10 -67.56 -45.89 74.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.308 178.893 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.68 -48.77 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.51 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -58.17 -42.84 86.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 177.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -61.61 -53.92 49.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.081 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.3 mt-10 -60.97 -36.17 78.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.049 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.498 ' O ' HG21 ' A' ' 89' ' ' VAL . 28.7 t -61.54 -50.65 79.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.643 0.259 . . . . 0.0 110.867 173.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.96 -31.53 66.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.813 -177.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -69.4 -14.45 62.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.141 0.496 . . . . 0.0 110.916 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -108.85 -5.95 16.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 85' ' ' VAL . 93.0 t -82.66 108.44 15.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -106.55 167.07 10.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.322 178.267 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HZ3' ' HB2' ' A' ' 91' ' ' LYS . 7.5 mtmp? -87.93 157.67 18.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.924 177.396 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 59.2 t30 -78.93 75.03 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.145 0.498 . . . . 0.0 111.27 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 56.2 p -90.33 -18.68 25.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.297 174.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.419 ' CG ' HH12 ' A' ' 103' ' ' ARG . 3.9 m-20 -73.89 -31.15 62.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.205 -176.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 66.0 21.17 11.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.847 -176.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.79 117.47 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 174.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.37 -30.85 70.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.863 -175.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.83 -44.04 91.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.569 0.224 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -79.6 -26.79 41.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.028 0.442 . . . . 0.0 110.279 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.47 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -68.1 -54.34 18.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.334 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . . . -63.78 -37.66 88.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.972 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.445 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 76.7 t80 -66.18 -35.23 79.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.265 -176.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.419 HH12 ' CG ' ' A' ' 94' ' ' ASP . 34.9 ttp180 -71.95 -34.45 69.01 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.221 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.51 70.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.588 176.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.39 -47.21 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.808 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -62.23 -40.29 95.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.017 -177.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.44 -45.79 92.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.97 178.313 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -74.07 -46.35 43.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.15 -173.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -66.23 -29.87 70.21 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.58 -18.83 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 110.743 -177.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -118.45 -31.97 4.76 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.381 -178.576 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.405 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.9 m-20 -134.63 57.41 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.69 -173.079 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 67.6 tp -76.34 -33.79 58.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.914 0.387 . . . . 0.0 111.051 -178.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -65.34 -31.13 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.079 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.36 -35.67 76.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 176.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 112' ' ' ASN . 58.9 mt -68.38 -43.47 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.6 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.05 -35.89 81.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.981 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.65 73.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.046 176.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -57.06 -44.94 83.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.761 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.17 0.05 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.59 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 121.163 0.506 . . . . 0.0 111.103 -179.343 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.74 0.305 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -76.19 -172.83 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.297 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 m -50.24 -55.02 17.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.115 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -43.2 94.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.349 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -62.28 -42.1 99.06 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.675 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.8 tp -60.91 -48.14 83.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -59.76 -34.28 72.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.359 0.599 . . . . 0.0 110.412 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 13' ' ' ARG . 40.2 ttp-105 -67.32 -40.78 85.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.725 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.28 -36.56 74.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.675 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 42.7 mtm180 -64.27 -29.36 70.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.063 -178.713 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.0 m -60.63 -50.52 73.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.089 0.471 . . . . 0.0 110.906 177.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.67 -40.22 84.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.576 -176.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.34 -34.15 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.577 0.227 . . . . 0.0 111.181 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.86 -52.25 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 110.704 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -66.09 -29.49 69.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.609 -177.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 m -83.41 -45.7 13.38 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -176.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -84.98 11.35 9.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.63 0.252 . . . . 0.0 111.678 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 54.79 38.37 30.09 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.422 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.0 mm -70.71 123.17 88.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.185 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -62.46 144.04 94.19 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.751 2.301 . . . . 0.0 111.881 178.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.41 -34.27 61.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.719 177.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.71 -54.45 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.449 174.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -60.83 -37.63 82.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.654 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.6 -43.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.579 -178.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.1 mt-10 -66.05 -31.1 71.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.524 179.093 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -65.31 -48.94 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.731 177.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -57.92 -32.45 67.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -178.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.79 -36.49 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.448 . . . . 0.0 110.181 176.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -92.79 17.9 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.248 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.9 m95 51.46 43.39 29.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.055 -174.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -106.05 112.95 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.93 175.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -116.24 91.7 33.48 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.899 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 146.09 85.14 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.932 2.421 . . . . 0.0 113.079 177.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.45 81.35 8.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.971 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 44' ' ' MET . 3.4 p30 -157.02 161.9 39.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.851 176.323 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.54 -22.83 67.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.025 -0.988 . . . . 0.0 112.502 -167.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.2 m -63.23 -59.59 4.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 178.003 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.444 ' O ' HG12 ' A' ' 47' ' ' ILE . 40.7 m -57.01 -34.65 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.013 177.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.1 mtt -66.89 -52.53 42.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.055 -174.711 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.56 -29.35 69.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.196 0.522 . . . . 0.0 110.148 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.543 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 25.2 t80 -61.03 -44.35 97.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.702 175.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 43' ' ' THR . 29.8 mm -61.23 -41.91 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.77 -178.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -69.63 -40.61 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.065 -177.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.1 t -56.27 -46.76 79.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.749 177.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.08 -44.11 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 110.689 179.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -68.17 -20.27 64.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.211 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -78.52 -43.4 26.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.611 175.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -65.91 -29.92 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.06 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.422 ' SD ' HD13 ' A' ' 11' ' ' LEU . 97.0 mtp -89.91 -4.58 57.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.365 -178.46 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 59.38 57.39 3.38 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.188 -177.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -129.36 -21.05 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.838 -174.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.4 t80 -135.3 137.52 42.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.458 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 30.3 t70 -113.82 138.71 49.91 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.71 -19.61 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.12 0.486 . . . . 0.0 110.333 -173.208 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.458 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 53.3 m -91.28 -64.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.82 179.031 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -79.64 -13.15 59.7 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 -151.24 23.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.462 -179.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.35 123.54 14.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 123.239 2.626 . . . . 0.0 111.902 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -85.63 92.45 8.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.222 0.534 . . . . 0.0 110.084 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 69' ' ' VAL . 82.2 t -49.25 -44.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.96 -174.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.81 -51.56 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.672 0.273 . . . . 0.0 111.307 -176.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.47 -35.04 79.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 178.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.16 -45.26 95.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.46 -179.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 65' ' ' VAL . 99.5 t -68.77 -38.77 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 178.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -65.23 -28.58 69.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 74' ' ' HIS . 50.7 tp60 -87.1 -60.09 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.764 -179.496 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 108' ' ' PHE . 97.6 mt -65.49 -50.55 64.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.995 -176.407 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.0 26.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.519 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 71' ' ' GLN . 3.8 t60 -75.87 89.38 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.43 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.93 28.63 6.83 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.815 -174.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -157.21 169.04 25.67 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.002 0.521 . . . . 0.0 109.882 178.019 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.45 121.59 14.75 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.662 0.744 . . . . 0.0 111.109 -178.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.39 -37.83 86.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.383 -175.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -43.52 79.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.461 -174.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.24 -50.9 72.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 175.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.55 -47.36 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.285 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -54.52 -44.49 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 177.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 m -61.34 -53.36 57.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.295 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.76 -36.02 81.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.781 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 89' ' ' VAL . 24.8 t -59.96 -49.98 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 174.024 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.02 -31.18 66.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.798 -178.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -75.01 -11.15 60.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.395 0.617 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.04 -8.14 17.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.301 177.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 85' ' ' VAL . 97.7 t -80.0 100.29 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.661 175.192 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.46 170.67 7.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.864 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -86.03 150.55 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.102 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -76.32 64.59 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.594 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -76.43 -18.56 58.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.142 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -73.89 -21.01 60.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.157 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 64.08 19.54 11.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.463 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -135.62 117.6 15.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.51 75.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.333 -173.144 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.6 m -63.75 -40.32 96.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.634 178.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' A' ' 103' ' ' ARG . 49.5 t-80 -77.46 -24.89 50.18 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.289 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -67.92 -51.73 44.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.897 0.38 . . . . 0.0 110.542 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.59 90.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.29 177.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.7 -27.54 65.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.484 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 72.1 ttt180 -69.82 -46.12 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.95 -178.125 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.58 -46.34 90.39 Favored Glycine 0 C--N 1.33 0.242 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.942 178.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.64 -45.71 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.028 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.38 -32.67 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.313 -175.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 13.4 t -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.035 0.445 . . . . 0.0 111.424 178.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.403 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 34.7 t80 -72.16 -44.01 63.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -173.119 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.42 -23.28 67.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.805 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -61.88 -28.96 69.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -120.22 -28.68 5.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -175.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -136.15 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -172.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.63 -29.13 45.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.107 0.479 . . . . 0.0 110.67 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 p -61.57 -39.59 91.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.6 tp -67.03 -34.22 77.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.95 -41.25 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.094 178.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.39 -39.77 74.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.088 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.92 -36.95 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.218 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.3 p -61.39 -38.55 87.45 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.3 pt -87.99 -10.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.279 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.971 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.75 0.309 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -78.33 -174.16 3.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -58.54 -39.59 80.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.741 0.305 . . . . 0.0 111.07 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.56 -45.67 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.413 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -63.47 -39.37 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 110.168 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -63.03 -36.16 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.026 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -69.27 -21.98 63.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.033 0.444 . . . . 0.0 110.578 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 20.0 tpp180 -76.48 -53.56 7.94 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.27 -41.3 98.34 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.181 -178.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -33.23 75.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.84 -176.373 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -62.16 -51.88 66.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.823 176.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 7.4 mt-10 -65.67 -39.98 91.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.867 -176.172 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.16 -34.51 78.24 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 120.673 0.273 . . . . 0.0 110.75 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.23 -51.55 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 t -66.64 -31.98 73.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.693 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.8 m -76.83 -48.73 17.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.035 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.4 mt -83.83 10.78 8.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.423 -176.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 54.04 34.94 20.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.526 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.05 117.98 41.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.489 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.65 144.19 97.87 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.119 2.546 . . . . 0.0 112.188 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.24 -36.13 63.21 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.947 -176.675 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.46 -48.61 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.431 0.457 . . . . 0.0 111.128 177.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -62.76 -39.05 92.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.61 -45.75 82.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.281 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.7 mt-10 -61.71 -41.12 97.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -26.78 61.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.61 -176.279 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.42 ' CE2' HG23 ' A' ' 43' ' ' THR . 20.2 m-85 -79.09 -19.79 50.35 Favored 'General case' 0 C--O 1.226 -0.173 0 O-C-N 122.131 -0.355 . . . . 0.0 110.358 176.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -79.17 -11.85 59.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.446 0.641 . . . . 0.0 109.609 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -105.29 19.73 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.339 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.5 m95 50.33 47.88 23.16 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.085 -177.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -120.33 115.16 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.96 82.55 55.8 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 -176.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.87 155.55 63.31 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.117 2.545 . . . . 0.0 112.671 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.51 89.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.914 177.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.621 ' O ' ' HG3' ' A' ' 44' ' ' MET . 13.4 t70 -150.31 142.64 24.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.392 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.8 -26.29 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.667 -173.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -68.94 -47.8 64.8 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.467 0.651 . . . . 0.0 109.62 178.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.42 HG23 ' CE2' ' A' ' 32' ' ' PHE . 18.7 m -61.88 -36.35 81.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.927 178.1 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.621 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -66.82 -50.45 62.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.762 -174.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.27 -30.48 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.7 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.16 -49.84 76.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.472 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -61.07 -37.14 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.836 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.48 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.41 -55.16 36.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.135 179.687 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 t -54.61 -46.88 73.91 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.507 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.1 -48.58 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.171 0.51 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.73 -24.44 66.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.096 -177.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.34 -40.99 28.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.281 -179.212 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -75.85 -20.27 58.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.29 -178.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.5 mtp -88.17 5.81 39.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 56.71 42.47 26.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.117 -178.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mt -119.99 -16.71 8.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.21 -173.637 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -144.44 137.77 27.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.946 179.108 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -127.37 146.19 50.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.559 -179.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.89 -24.98 66.17 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.884 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.1 m -94.36 -65.12 1.01 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.444 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.89 -15.29 61.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.034 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.67 -150.31 31.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.992 -177.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.82 119.85 7.37 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 0.0 111.32 176.078 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.64 88.58 5.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' HG21 ' A' ' 69' ' ' VAL . 75.8 t -49.05 -44.82 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.445 -174.503 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.63 -54.03 51.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.76 0.314 . . . . 0.0 111.411 -177.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -65.86 -31.63 72.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 179.111 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.9 mt -63.44 -40.13 96.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.223 179.54 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 65' ' ' VAL . 88.9 t -72.05 -43.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 177.249 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -64.33 -22.53 66.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 0.0 111.056 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.559 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 53.9 tp60 -90.19 -60.92 1.8 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.124 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 74' ' ' HIS . 91.8 mt -67.19 -41.88 85.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.595 -174.211 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.83 35.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.49 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.9 t-160 -64.03 82.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.355 0.662 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.41 35.83 9.21 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.197 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -148.88 169.68 19.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.565 0.182 . . . . 0.0 110.852 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 81' ' ' VAL . 35.3 m-20 -59.89 102.58 0.16 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.552 0.533 . . . . 0.0 111.168 178.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.58 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.701 -178.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.59 -40.32 91.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.386 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.93 -43.67 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 109.889 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 77' ' ' ASP . 78.8 t -57.43 -46.31 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.455 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -53.21 -42.63 66.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 177.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.7 m -63.52 -54.32 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.51 -177.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -59.71 -36.75 77.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.78 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.437 ' O ' HG22 ' A' ' 89' ' ' VAL . 32.4 t -60.67 -50.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.689 0.28 . . . . 0.0 111.086 174.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.35 -31.23 65.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -178.033 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.54 -13.52 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.336 0.588 . . . . 0.0 110.753 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -107.55 -4.15 18.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.281 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 85' ' ' VAL . 87.2 t -84.02 111.58 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.757 174.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.2 175.26 7.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.89 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -85.19 153.1 22.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.438 -178.157 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -77.68 69.3 3.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.43 -179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -79.13 -19.48 51.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -77.68 -19.4 55.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.138 0.494 . . . . 0.0 110.334 178.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.09 25.39 14.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.621 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -140.19 122.65 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.888 -178.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.04 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.599 -172.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 70.2 m -62.4 -41.19 98.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.467 178.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -77.68 -29.46 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -177.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -66.12 -51.4 58.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.456 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.24 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.512 . . . . 0.0 110.583 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.6 t80 -67.95 -30.75 70.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 -178.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -64.35 -49.31 72.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.106 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.08 98.28 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.988 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.17 -46.55 80.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.755 0.312 . . . . 0.0 111.03 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.45 -41.51 88.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -176.134 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.57 -44.35 89.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.213 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -75.88 -46.5 29.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.143 -173.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.82 -24.41 67.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.57 -31.44 70.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.806 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -115.0 -30.4 6.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.343 -177.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -135.15 61.33 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -171.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -76.69 -29.61 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.248 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.6 t -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.774 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.9 tp -69.3 -31.42 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.218 -178.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.02 -42.38 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.015 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.8 -42.66 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.8 177.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.02 -29.25 65.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.355 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.559 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 47.5 t -56.72 -44.12 81.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.934 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.4 pt -94.97 -3.89 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.941 0.4 . . . . 0.0 111.409 -177.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 tttm . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.377 -177.706 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.7 p -80.21 179.57 7.59 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.458 177.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -52.91 -44.4 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 177.517 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.63 -42.79 97.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.107 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.07 -38.47 85.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.166 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.5 -30.25 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.61 -30.39 71.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.717 177.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 98.8 mtt180 -69.59 -58.39 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.045 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -59.19 -31.39 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.232 -176.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.504 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 39.1 mtt180 -54.47 -53.13 58.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.343 178.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -66.34 -42.07 88.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.507 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.9 mt-10 -60.61 -33.39 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.461 -178.651 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.8 m -83.68 -37.23 23.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.261 178.209 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -53.52 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -64.91 -23.21 67.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.757 -179.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.8 t -86.47 -47.3 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.289 . . . . 0.0 110.984 -177.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.59 12.3 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 55.19 37.25 28.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.487 -179.135 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.44 117.59 56.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.013 179.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -61.93 141.11 88.39 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.396 2.064 . . . . 0.0 111.47 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.583 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.17 -30.2 48.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.798 178.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -48.58 -49.74 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.296 175.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.7 m-85 -67.21 -38.87 86.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.61 177.39 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.66 -42.45 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.4 mt-10 -61.61 -35.78 78.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.153 0.502 . . . . 0.0 110.283 177.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 92.5 mttt -67.53 -47.06 71.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.751 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 14.1 m-85 -58.83 -36.13 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.431 . . . . 0.0 110.917 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -59.61 -40.68 88.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.909 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 50.7 pttt -92.77 23.04 4.35 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.8 m95 53.81 48.42 21.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.49 178.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.78 109.53 13.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -114.89 98.01 48.98 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.402 -176.511 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.84 142.25 92.81 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.483 2.122 . . . . 0.0 112.304 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.04 83.35 3.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.785 0.802 . . . . 0.0 109.817 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.7 t70 -149.11 148.17 29.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.155 -176.282 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.66 -22.17 65.07 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.893 -172.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.7 m -65.01 -55.64 17.77 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.399 0.619 . . . . 0.0 110.13 176.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.7 m -59.48 -33.55 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.148 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.6 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.42 -50.88 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.759 -173.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.88 -28.59 68.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.414 178.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.504 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 t80 -60.15 -50.51 73.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 110.181 174.806 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mm -60.26 -39.65 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.453 178.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -60.35 -54.75 41.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.429 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.8 t -55.98 -47.97 76.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.637 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -43.52 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.016 0.436 . . . . 0.0 110.943 -179.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.5 m-30 -65.7 -24.54 67.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -77.93 -43.61 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 177.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -69.2 -27.06 65.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.288 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 91.1 mtp -87.53 0.32 55.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.074 0.464 . . . . 0.0 110.75 177.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 55.02 46.94 23.2 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.514 -178.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -117.64 -14.05 10.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.044 -175.151 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.407 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 88.0 t80 -138.94 143.32 38.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.313 179.246 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 27.5 t70 -127.78 139.82 52.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.99 177.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.75 -26.85 66.02 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.033 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.425 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 43.8 m -93.58 -65.68 0.97 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.673 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.66 -146.09 22.2 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.732 -174.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 123.74 14.39 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.96 2.44 . . . . 0.0 112.017 177.012 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.46 93.27 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.951 -179.654 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' HG21 ' A' ' 69' ' ' VAL . 73.8 t -51.67 -45.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.519 -174.074 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 29.9 t70 -59.0 -56.78 17.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.613 0.244 . . . . 0.0 111.159 -177.54 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.14 -33.65 73.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 0.0 110.624 179.008 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.95 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.377 179.33 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 65' ' ' VAL . 60.2 t -70.03 -42.67 79.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.651 177.558 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.467 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 35.2 m-70 -58.33 -33.16 69.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.859 0.361 . . . . 0.0 111.211 178.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -85.57 -60.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -178.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 74' ' ' HIS . 91.7 mt -64.15 -42.17 96.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.615 -173.325 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.72 35.18 0.09 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 72' ' ' LEU . 60.5 t-80 -61.66 88.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.16 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.03 33.55 32.66 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.577 179.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -145.56 169.52 18.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.416 0.15 . . . . 0.0 110.937 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.19 105.66 0.3 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.997 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.23 73.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.333 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.8 -46.4 82.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.57 -48.09 82.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.205 0.526 . . . . 0.0 110.047 177.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.4 -48.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.344 179.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -55.06 -45.23 75.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.485 177.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -63.54 -47.02 83.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.787 -177.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.49 -42.87 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.395 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 89' ' ' VAL . 36.4 t -58.07 -52.35 59.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.239 176.669 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.0 mt -58.45 -29.69 66.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.59 -20.16 63.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.55 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.3 m -104.65 -13.56 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.925 -179.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.6 t -69.86 124.25 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.541 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -141.53 168.24 20.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.662 -176.522 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -88.55 152.45 21.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.821 -175.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -81.43 67.08 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.503 0.668 . . . . 0.0 110.549 -177.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.3 p -78.11 -26.87 48.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.031 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -80.91 -13.23 59.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.1 t30 66.09 40.16 4.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.634 169.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 171.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.108 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.2 m -61.92 -38.4 88.26 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.589 -0.444 . . . . 0.0 109.807 174.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -83.24 -24.71 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.329 -177.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -63.91 -53.8 44.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.745 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.63 87.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 177.29 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -68.09 -33.65 74.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.93 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -73.23 -37.05 66.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.21 -177.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.09 94.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.334 175.235 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -64.97 -49.16 71.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.545 -0.328 . . . . 0.0 110.933 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.105 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.53 -44.37 96.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.289 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -74.87 -48.37 25.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.935 -173.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -19.17 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.482 -178.69 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.18 -30.51 70.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.485 . . . . 0.0 110.447 178.106 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.97 -34.61 5.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.286 -175.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -134.83 68.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.708 -171.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.29 -33.45 20.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 111.448 -177.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 m -66.15 -31.3 72.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -178.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.89 -35.8 81.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.264 0.554 . . . . 0.0 109.786 174.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.61 -42.04 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.129 179.526 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.81 -40.11 94.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.718 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.92 -33.66 66.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.141 -178.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 88.9 p -62.08 -38.2 87.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.578 -177.137 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.6 pt -92.05 1.16 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 111.199 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.72 -179.918 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.3 p -67.01 176.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.848 -174.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -55.23 -41.77 72.53 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 176.147 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.186 178.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.43 -40.01 96.03 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.996 0.426 . . . . 0.0 110.001 176.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 67.1 tp -62.93 -35.04 78.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.506 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 98.3 mt-30 -67.01 -19.26 65.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.571 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -75.29 -42.99 53.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.513 178.019 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.84 -21.33 57.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HG3' ' HA ' ' A' ' 12' ' ' GLN . 13.1 mmm180 -50.27 -65.87 0.49 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.787 172.668 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -53.95 -48.68 70.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.212 -178.033 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -54.15 39.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.036 0.446 . . . . 0.0 110.887 -178.048 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.13 -32.33 66.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -177.589 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -66.78 -53.48 34.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.682 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -63.84 -38.96 93.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.361 -177.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.4 m -75.47 -44.68 42.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -176.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.33 8.11 19.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -177.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 56.14 33.99 23.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.511 178.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -62.48 122.51 74.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -59.74 139.88 90.72 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.605 2.204 . . . . 0.0 111.545 177.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -33.46 62.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.731 -177.188 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.17 -52.21 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 176.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -58.3 -38.88 77.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 177.149 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.72 -48.02 84.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.4 mt-10 -62.78 -36.86 84.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.387 0.613 . . . . 0.0 110.019 178.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.11 -37.66 69.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.377 -176.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.06 -31.95 73.13 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.228 0.537 . . . . 0.0 110.022 175.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.115 178.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -89.39 21.43 3.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.075 178.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.7 m95 51.64 41.91 29.24 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.242 -176.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 61.4 mt-10 -104.41 109.83 21.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.647 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -119.34 85.4 31.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.433 -179.088 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -63.1 155.02 63.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.906 2.404 . . . . 0.0 112.209 175.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.84 81.58 5.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.945 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.59 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.5 t70 -145.8 143.56 29.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.224 -177.316 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.03 -30.49 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.669 -174.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.0 m -60.51 -56.34 22.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.169 0.509 . . . . 0.0 110.359 177.13 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -56.08 -36.9 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.044 176.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.59 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -67.29 -47.45 70.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.417 -176.086 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.75 -31.98 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.85 -50.15 74.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.223 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.02 -40.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 14.4 tmtt? -60.2 -52.67 64.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.473 -179.154 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.74 -48.14 82.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.685 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.3 -47.94 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.867 0.365 . . . . 0.0 111.407 -177.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.415 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -63.09 -28.96 70.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 110.668 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.59 -42.87 61.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.498 177.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -72.1 -23.6 61.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.243 -176.649 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -89.0 5.16 45.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.306 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.53 41.18 26.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.435 -178.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -119.13 -17.1 9.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 -174.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.0 t80 -139.73 137.64 35.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.953 179.194 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.0 t70 -121.81 142.58 50.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.112 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.79 -12.45 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.789 0.328 . . . . 0.0 111.188 -173.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.423 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 19.0 m -98.55 -62.12 1.28 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.008 177.45 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.66 -27.0 61.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.515 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 -152.56 20.8 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.849 -174.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.09 124.51 16.38 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.952 2.435 . . . . 0.0 111.624 176.143 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -82.99 85.49 7.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.5 t -49.38 -42.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.307 -174.662 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.01 -54.45 46.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.297 -177.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.4 -34.34 77.96 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 177.675 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.46 -45.3 94.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.45 -179.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.7 t -68.66 -42.21 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 110.605 177.616 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -60.93 -28.42 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.29 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.55 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 5.9 tp60 -90.26 -58.5 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.408 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.649 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 98.7 mt -64.85 -36.18 83.51 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -174.238 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.74 33.91 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.813 178.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 72' ' ' LEU . 39.7 t-80 -70.83 79.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.986 178.856 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.55 27.27 8.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.244 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -145.87 163.59 34.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.5 . . . . 0.0 111.58 -179.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.13 110.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.732 177.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.73 74.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.123 -176.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.32 -45.89 91.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.337 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -61.26 -46.75 89.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.086 0.469 . . . . 0.0 110.369 176.398 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -59.24 -50.02 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.709 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -56.7 -44.2 81.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.714 0.292 . . . . 0.0 110.676 179.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -63.3 -51.77 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.63 -37.86 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.488 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 89' ' ' VAL . 30.9 t -61.61 -50.89 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.711 174.217 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.63 -32.67 69.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.756 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -17.26 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 110.759 177.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.38 -14.58 16.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.374 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 85' ' ' VAL . 65.1 t -79.09 120.44 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.541 174.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -145.77 -179.35 6.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.081 178.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -77.04 157.63 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.259 0.552 . . . . 0.0 111.338 -174.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -79.23 72.0 5.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.509 179.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.6 p -78.1 -19.3 54.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.482 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.11 -17.08 57.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 61.23 20.99 11.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.724 -179.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -141.25 127.26 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.38 -34.75 78.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.276 -173.562 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 64.3 m -62.85 -39.47 94.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 109.988 176.404 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -75.41 -32.2 60.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.049 -178.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -69.98 -52.07 27.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.662 -176.135 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.89 -36.25 82.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.323 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.44 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 68.4 t80 -70.46 -27.85 64.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.588 -179.316 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -68.56 -42.12 78.79 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.76 -42.63 93.01 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.55 178.173 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.545 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 20.6 t80 -65.04 -46.35 81.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.6 -179.249 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -55.35 -54.38 44.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.54 -41.37 80.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.785 -176.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.54 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 30.7 t80 -76.93 -47.0 22.23 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.624 -173.21 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 105' ' ' PHE . 6.1 pt20 -66.28 -21.85 66.29 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.969 0.414 . . . . 0.0 110.767 -177.838 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.41 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 1.5 tmtp? -63.71 -30.6 71.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.004 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -110.55 -30.61 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.5 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.51 ' O ' HG13 ' A' ' 116' ' ' ILE . 89.0 m-20 -137.0 66.12 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.209 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.2 tp -82.9 -36.8 25.01 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.925 178.611 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.0 m -63.72 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.778 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.9 tp -66.53 -37.32 84.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.377 177.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 112' ' ' ASN . 65.4 mt -62.16 -42.89 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.008 179.155 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.92 -32.03 73.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.829 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.83 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.646 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.649 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 19.5 m -61.98 -40.38 95.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.234 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.4 pt -90.84 4.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.282 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.045 0.45 . . . . 0.0 110.853 -178.019 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.2 p -76.82 -179.88 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 m -58.64 -38.92 79.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.008 0.433 . . . . 0.0 110.586 177.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.443 ' HA ' HE21 ' A' ' 12' ' ' GLN . 1.6 mp0 -60.73 -46.35 90.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.752 177.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.63 -40.94 98.57 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.975 0.417 . . . . 0.0 110.081 177.065 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.529 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.5 tp -59.15 -42.37 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.416 -176.642 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 9' ' ' GLU . 50.5 mt-30 -60.11 -34.22 73.19 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.187 0.518 . . . . 0.0 110.892 -178.178 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.5 ttp-105 -65.04 -44.25 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.647 178.491 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -73.1 -34.93 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.816 -174.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 8.5 mtm180 -63.8 -39.44 94.24 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.441 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -59.24 -50.5 73.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.279 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.8 mm-40 -64.28 -44.14 92.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.52 -52.11 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.914 0.388 . . . . 0.0 110.613 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 p -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.563 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.7 t -72.43 -45.96 57.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.695 0.283 . . . . 0.0 110.94 -177.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.71 6.85 29.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.382 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 m120 54.51 35.57 23.7 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.793 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.2 mm -63.79 123.15 80.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.297 178.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -62.84 137.4 62.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.514 2.142 . . . . 0.0 111.437 177.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.6 -32.62 59.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.949 -172.784 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.09 -44.84 91.96 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.002 0.189 . . . . 0.0 111.261 -178.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.6 m-85 -60.12 -42.54 95.0 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-O 120.792 0.33 . . . . 0.0 110.726 174.509 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.74 -46.74 86.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.747 -175.085 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.7 mt-10 -63.35 -37.51 87.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.201 178.467 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -23.88 58.99 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.931 -174.27 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 23.3 m-85 -69.28 -32.54 71.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 177.318 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -70.38 -19.15 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.716 -178.275 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -86.37 9.73 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.169 175.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.438 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 99.5 m95 60.68 45.16 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.989 -178.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.66 109.89 13.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.196 176.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -114.27 96.04 41.21 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.575 -176.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.05 146.05 98.2 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.742 2.295 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.46 81.01 5.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.614 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.589 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -146.62 146.51 30.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.34 -175.353 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -48.28 -42.91 32.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.432 0.458 . . . . 0.0 111.925 -176.244 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.5 m -52.52 -58.32 7.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.376 -178.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.7 m -59.84 -33.15 71.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.337 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.589 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.84 -52.95 30.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.961 -173.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.2 m -63.96 -30.6 71.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.292 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -61.46 -50.36 73.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.4 mm -59.14 -40.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.948 178.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -49.11 74.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 t -58.29 -47.53 83.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.504 177.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.9 -48.91 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 121.058 0.456 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.418 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-30 -63.89 -26.39 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.787 -178.415 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -76.71 -40.05 49.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.307 -179.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -75.51 -19.39 59.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.246 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.0 7.72 36.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.487 178.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 55.48 40.85 31.29 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.182 -178.405 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -120.61 -20.96 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.477 0.656 . . . . 0.0 110.966 -174.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 62.8 t80 -140.02 133.98 30.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.078 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.24 133.31 46.0 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 177.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.79 -21.09 60.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.775 -173.504 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -110.36 -53.67 2.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.92 -0.45 54.24 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.69 -155.87 35.97 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.836 172.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -61.21 129.29 27.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.048 2.499 . . . . 0.0 111.798 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.5 mt -94.22 92.08 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.356 0.598 . . . . 0.0 109.431 178.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 69' ' ' VAL . 84.0 t -50.62 -44.31 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.768 -172.355 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 7.7 m-20 -57.98 -54.49 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -177.388 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.06 -35.36 78.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.607 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.56 -43.8 96.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.537 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 65' ' ' VAL . 60.7 t -69.63 -40.33 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.841 178.566 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.436 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 59.8 m-70 -60.71 -31.04 70.34 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.225 178.59 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -88.21 -54.86 3.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 -177.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.62 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 96.2 mt -69.03 -48.23 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.102 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.69 33.4 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -73.46 104.91 4.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.057 -0.402 . . . . 0.0 110.212 175.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.48 17.64 54.49 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.542 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -145.98 165.37 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.724 0.297 . . . . 0.0 111.459 -178.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.76 109.46 1.43 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.501 179.144 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.31 -34.13 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.309 178.346 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.27 -48.85 79.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.236 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 7.2 mm-40 -69.29 -44.86 70.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.6 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.84 -48.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.224 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -57.86 -42.14 83.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.88 0.372 . . . . 0.0 110.589 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -61.77 -53.8 51.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 36.8 mt-10 -58.84 -41.02 85.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.414 178.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 89' ' ' VAL . 28.8 t -57.9 -49.49 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 175.286 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.14 -29.76 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.905 -178.338 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.04 -16.9 62.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 110.447 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.5 m -103.9 -14.54 15.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.441 -179.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 85' ' ' VAL . 89.4 t -74.61 128.97 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.775 174.628 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.99 163.47 29.15 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.95 -178.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -78.29 157.22 29.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.197 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -81.55 59.19 4.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.469 0.652 . . . . 0.0 110.529 -178.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.0 p -77.69 -14.86 59.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.067 175.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.419 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 20.6 t70 -77.65 -21.68 51.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.045 178.574 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 61.0 26.49 16.45 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.759 177.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.412 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 19.3 t-20 -146.67 122.49 10.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.142 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.222 -174.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 65.0 m -64.11 -47.87 78.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.663 0.268 . . . . 0.0 110.917 -178.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.567 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 8.1 t-160 -78.75 -25.92 44.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -176.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -64.5 -56.56 13.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 178.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.11 83.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.161 0.505 . . . . 0.0 110.464 179.269 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 69.9 t80 -67.45 -32.44 73.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.961 -178.712 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 51.9 mtm180 -67.22 -41.14 86.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 179.076 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.99 -47.05 86.89 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.554 178.659 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.82 -46.71 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.455 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -59.14 -47.08 86.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.109 -177.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.6 t -58.97 -43.07 91.3 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.041 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.7 t80 -74.53 -49.83 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.886 -174.613 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -16.94 64.36 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.685 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -69.36 -30.19 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.857 0.361 . . . . 0.0 110.176 177.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -115.05 -28.65 6.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.601 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -135.75 68.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.193 -172.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.3 tp -88.89 -33.56 17.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.504 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -64.34 -33.74 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.996 0.427 . . . . 0.0 110.102 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.3 tp -63.91 -40.01 95.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.029 176.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -42.97 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.788 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.438 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 96.5 mttt -62.01 -40.86 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 178.33 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.37 -29.32 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.834 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.62 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 49.2 m -60.06 -39.18 85.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.818 -178.411 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.8 pt -91.9 -5.43 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.415 -177.542 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.5 p -110.26 176.65 4.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.615 -176.191 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.534 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 35.6 m -58.36 -57.69 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -176.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.95 -38.83 87.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -36.45 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.039 0.447 . . . . 0.0 110.145 179.488 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.67 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 52.8 tp -59.19 -39.19 81.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.515 172.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 8' ' ' THR . 16.0 mm100 -55.09 -32.61 62.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.183 0.516 . . . . 0.0 111.47 -178.099 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.0 ttt180 -68.5 -46.41 69.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.468 -178.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 36.1 m-85 -67.02 -38.36 85.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.996 -177.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.67 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.2 mtp180 -58.29 -45.68 87.48 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -59.05 -51.4 70.22 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.873 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.2 mm-40 -58.59 -41.12 85.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' HG13 ' A' ' 50' ' ' VAL . 95.2 m -70.4 -30.09 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.331 . . . . 0.0 110.984 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.07 -51.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.283 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 t -66.69 -36.0 81.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.281 -179.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 t -72.46 -49.68 31.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.712 0.292 . . . . 0.0 111.335 -176.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -87.54 6.49 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.385 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 55.66 39.87 30.91 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.199 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.5 mm -62.51 124.73 83.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.664 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -61.8 141.26 89.63 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.84 2.36 . . . . 0.0 111.28 177.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -53.32 -34.96 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.378 -175.584 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.03 -51.11 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.277 0.361 . . . . 0.0 111.246 179.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -56.88 -42.72 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.924 176.643 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.7 t -58.12 -45.82 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.419 -177.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.6 mt-10 -65.78 -35.89 81.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 110.281 178.075 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HG3' ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -74.87 -27.12 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.104 -174.671 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -69.2 -22.04 63.92 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.39 . . . . 0.0 110.49 178.124 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.16 -27.4 65.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.924 0.392 . . . . 0.0 110.229 178.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -96.98 24.6 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.288 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 51.0 42.31 28.28 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.239 -179.515 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.464 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 38.7 mt-10 -108.23 112.89 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.276 176.335 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.33 90.26 41.83 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' ' HG1' ' A' ' 43' ' ' THR . 51.7 Cg_exo -57.93 144.21 94.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.777 2.318 . . . . 0.0 112.723 177.537 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -86.84 77.72 9.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.665 -178.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.534 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.6 OUTLIER -154.34 165.75 35.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.915 179.096 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.31 -42.85 15.28 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -53.64 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.105 0.479 . . . . 0.0 111.631 -174.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 ' HG1' ' HD2' ' A' ' 38' ' ' PRO . 11.7 m -61.12 -33.94 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.585 -178.839 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.8 mtt -64.54 -54.24 35.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.69 -174.007 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.6 m -67.87 -28.87 67.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 50' ' ' VAL . 41.1 t80 -60.07 -52.23 66.25 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.297 176.481 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.27 -42.69 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.907 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -178.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -57.44 -50.05 74.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.134 -178.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 HG13 ' SG ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER -70.35 -30.04 41.51 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.335 -175.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.505 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-85 -71.72 -29.97 65.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.641 179.398 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -72.84 -41.32 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.01 175.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 66.1 mttm -71.12 -29.96 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.229 -178.658 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.0 mtp -84.93 1.16 48.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.381 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 57.58 44.21 21.34 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD11 ' HG2' ' A' ' 71' ' ' GLN . 5.8 mt -118.63 -22.3 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.004 -175.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 72.3 t80 -133.67 132.66 40.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.108 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -101.78 132.16 47.68 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.7 -16.62 63.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -171.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.9 m -103.56 -60.37 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.153 178.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -79.59 -8.56 59.26 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -174.187 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.21 -153.83 26.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.308 -0.949 . . . . 0.0 113.204 177.329 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -60.19 124.48 15.32 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.042 2.495 . . . . 0.0 111.951 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 mt -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 69' ' ' VAL . 83.3 t -51.87 -43.94 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.589 -173.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.35 -49.46 77.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.627 0.251 . . . . 0.0 111.378 -177.432 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -66.29 -37.06 84.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 178.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.12 -45.69 92.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.255 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -68.74 -44.7 82.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.122 178.639 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -62.22 -26.98 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 111.15 179.097 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' HG2' HD11 ' A' ' 56' ' ' LEU . 32.5 tp60 -82.28 -60.79 2.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.247 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.07 -49.63 66.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.493 -177.114 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.22 33.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -175.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.406 ' NE2' ' HA ' ' A' ' 119' ' ' SER . 1.7 p80 -73.39 82.8 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.135 0.969 . . . . 0.0 110.472 -178.782 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.97 26.71 7.77 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.447 -174.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -141.86 169.71 17.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.53 104.51 0.81 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.358 0.599 . . . . 0.0 111.427 178.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.75 67.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.206 178.672 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.97 -43.26 96.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.13 -178.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -71.08 -46.22 62.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.193 0.52 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.32 -46.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.746 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.76 -44.52 86.19 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.652 177.385 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 m -59.39 -49.61 77.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.0 -45.55 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 178.178 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.452 ' O ' HG21 ' A' ' 89' ' ' VAL . 38.8 t -56.43 -49.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 177.637 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.17 -31.63 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.665 -177.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.26 -22.36 66.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 0.0 110.468 178.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.4 m -104.39 -13.4 16.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.329 -175.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 85' ' ' VAL . 98.7 t -70.82 113.33 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.985 0.422 . . . . 0.0 109.988 176.044 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -121.64 166.94 13.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.252 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -84.25 153.72 23.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.896 -177.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -79.78 73.81 6.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.586 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.3 p -87.21 -9.49 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.679 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.97 -19.55 25.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 178.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.89 20.63 12.17 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.77 -176.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.86 118.78 20.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.725 -178.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.13 -34.51 77.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.099 -172.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.47 -45.5 93.98 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.957 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -76.65 -24.97 53.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.174 -176.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -69.13 -54.41 15.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.63 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.2 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.281 0.562 . . . . 0.0 110.399 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.65 -30.86 71.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.539 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -66.16 -46.34 77.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.854 0.359 . . . . 0.0 110.435 178.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.14 -46.37 94.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.906 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.43 -47.17 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.732 0.301 . . . . 0.0 111.024 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -60.68 -45.48 93.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.201 -177.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.32 -43.99 97.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.23 -46.73 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.921 -173.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -67.63 -18.32 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.333 . . . . 0.0 111.527 -177.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -70.29 -26.12 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.93 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -123.21 -29.65 3.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.821 -175.224 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -133.49 63.71 1.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.158 0.504 . . . . 0.0 110.953 -173.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.37 -25.34 29.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 -178.715 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.0 m -64.92 -39.08 92.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.567 179.367 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.2 -33.02 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.034 0.445 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.55 -45.09 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.977 178.264 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.42 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 177.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.2 73.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.731 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.406 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 20.6 t -63.5 -40.2 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.415 -178.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.9 pt -98.57 6.13 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.622 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 111.329 -177.011 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 120.747 0.308 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.7 p -82.42 -179.75 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -57.03 -40.03 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 110.446 178.207 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -58.34 -42.55 87.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.964 178.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -76.18 -38.87 56.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 -177.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.695 -175.032 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -69.69 -23.63 63.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 110.719 -177.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.1 -53.54 24.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.115 177.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -66.16 -38.69 88.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.159 0.504 . . . . 0.0 110.743 -178.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.681 -179.374 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -60.86 -50.65 72.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.091 176.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HB2' ' HE3' ' A' ' 53' ' ' LYS . 6.5 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.667 -176.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 99.8 m -65.62 -33.18 75.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.3 -50.87 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 CA-C-O 121.09 0.471 . . . . 0.0 110.077 178.007 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -62.0 -44.93 95.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.456 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 t -69.58 -48.63 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.704 -175.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.76 8.57 11.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 -175.168 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 55.54 37.43 28.87 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.782 0.676 . . . . 0.0 111.349 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.32 122.6 82.34 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.97 143.64 91.51 Favored 'Trans proline' 0 C--O 1.237 0.456 0 C-N-CA 122.735 2.29 . . . . 0.0 111.543 176.3 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.15 -31.22 61.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.11 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.25 -54.3 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.571 175.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 44.1 m-85 -64.36 -36.98 85.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.678 179.012 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.67 -44.33 76.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.648 -178.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 9.0 mt-10 -64.62 -36.85 85.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.512 179.335 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.7 -46.58 81.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.774 -178.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 13.6 m-85 -58.58 -41.22 85.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -61.38 -33.48 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.714 -178.172 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -88.92 17.93 5.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.9 m95 55.54 49.52 16.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.611 -177.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -126.82 109.43 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.572 176.694 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -115.73 98.52 51.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -175.325 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -62.79 147.68 94.37 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.97 2.447 . . . . 0.0 113.221 177.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.82 80.29 8.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.051 178.364 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -153.76 159.75 42.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -178.639 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.03 -45.08 51.78 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.077 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -53.38 -60.14 3.68 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.464 0.478 . . . . 0.0 111.386 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.7 m -59.84 -35.41 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.447 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 67.2 mtt -65.69 -53.16 44.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.593 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.45 -27.59 66.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.678 -179.212 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -60.89 -49.85 75.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.25 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.48 -37.72 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.668 178.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.4 tmmm? -61.55 -54.32 44.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.367 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.44 -49.14 73.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.579 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.95 -47.7 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 121.164 0.507 . . . . 0.0 110.792 -177.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -67.4 -25.39 65.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.106 -177.633 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -79.67 -39.9 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 mttm -67.8 -33.48 74.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.603 179.264 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.8 mtp -84.8 9.88 12.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.505 -179.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 55.8 43.91 26.94 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.61 177.492 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 mt -122.56 -17.61 6.91 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.409 -174.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -142.95 140.28 31.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 178.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -124.11 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.118 178.079 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.16 -17.99 65.07 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.9 m -100.36 -62.48 1.24 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.488 -179.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.22 -15.26 58.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -175.437 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.11 -151.27 28.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.376 -178.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -62.61 123.98 13.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.996 2.464 . . . . 0.0 111.847 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -83.41 95.14 8.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 69' ' ' VAL . 83.3 t -50.08 -45.91 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.646 -174.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.3 -51.58 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.756 0.313 . . . . 0.0 111.109 -177.345 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -58.44 -37.83 76.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.194 0.521 . . . . 0.0 110.303 177.51 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.4 mt -61.91 -40.49 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.38 -179.019 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 65' ' ' VAL . 62.0 t -71.68 -40.99 71.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.53 177.451 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -60.12 -29.83 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.661 179.411 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -60.35 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.691 -179.304 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' A' ' 74' ' ' HIS . 86.3 mt -61.82 -40.45 95.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -174.03 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.76 33.77 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.07 0.462 . . . . 0.0 111.888 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.512 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.6 t-80 -70.77 79.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.793 177.761 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 30.57 6.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.743 179.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -154.01 169.3 23.83 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 111.265 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 81' ' ' VAL . 14.1 m-20 -64.87 110.93 2.6 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.984 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.97 -39.11 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.52 -177.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -43.47 98.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 0.0 111.286 -178.307 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.57 -45.26 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 77' ' ' ASP . 95.2 t -57.65 -49.02 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.334 178.251 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -56.45 -44.06 80.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -60.67 -52.61 64.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.245 -177.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -56.89 -42.0 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 89' ' ' VAL . 40.8 t -61.0 -50.09 82.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.35 177.525 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.04 -32.73 64.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.119 -176.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -77.94 -4.69 48.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 111.033 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 32.9 m -112.88 -7.12 13.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.408 175.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 85' ' ' VAL . 91.4 t -89.3 102.77 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.008 175.718 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -124.51 179.4 4.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.513 179.035 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -77.77 153.37 32.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.0 111.891 -175.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.432 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 50.6 t30 -78.86 75.84 5.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.194 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -83.16 -21.12 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.691 -175.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.573 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 7.4 p-10 -86.8 -13.46 45.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.33 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 65.08 25.39 12.53 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.253 174.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -133.04 112.36 11.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.297 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.88 -29.96 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.297 -175.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.7 m -66.64 -38.95 87.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 110.847 178.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.573 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 7.0 t-160 -84.32 -28.4 27.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -176.093 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.432 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -63.79 -52.82 58.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.097 177.633 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.87 88.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 177.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -67.77 -33.86 75.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.959 -179.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -73.56 -39.82 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.256 -178.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.43 95.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.458 177.055 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -65.84 -46.5 78.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.376 -0.412 . . . . 0.0 111.034 -179.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -69.03 -34.86 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 -175.275 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.613 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -73.15 -50.8 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -174.241 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -19.55 64.7 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.08 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -68.43 -29.84 68.6 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.514 -179.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.45 -29.92 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -176.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -135.72 68.82 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 0.0 111.368 -172.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.1 tp -85.2 -32.2 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -62.36 -35.57 79.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 -178.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.02 -36.07 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 177.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -40.13 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.291 0.567 . . . . 0.0 110.121 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -64.23 -47.24 80.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.765 177.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.47 -28.77 68.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.525 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 16.8 t -59.82 -44.62 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.36 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.9 pt -95.24 -1.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.945 0.403 . . . . 0.0 111.218 -178.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 84.1 tttt . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.59 -178.681 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.6 p -79.97 179.38 7.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.423 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -54.6 -41.54 70.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.93 178.294 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.92 -44.86 91.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.927 -179.024 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 109.875 178.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.611 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 64.1 tp -58.44 -38.6 77.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.71 -26.86 68.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -176.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -77.85 -41.67 36.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.912 179.65 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -67.91 -28.54 67.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.283 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 27.7 mtp180 -59.25 -53.72 55.09 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.525 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -57.14 -49.09 77.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.538 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -71.77 -33.26 68.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.148 178.695 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.33 -52.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 110.365 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 t -64.53 -36.83 85.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.562 -178.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.9 m -73.31 -45.42 55.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.388 -177.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.94 6.94 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -176.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 57.34 34.53 24.84 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.72 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.1 mm -64.14 122.05 75.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.77 143.43 99.39 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.944 2.429 . . . . 0.0 111.978 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -30.0 57.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.794 -178.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.81 -54.34 24.48 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.563 0.539 . . . . 0.0 111.396 177.221 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 56.8 m-85 -61.82 -36.56 81.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.43 179.175 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.46 -43.81 87.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.481 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.1 mt-10 -59.9 -36.39 76.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.3 178.45 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.96 -46.47 71.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.046 -179.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.7 m-85 -58.68 -34.07 70.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.15 -24.27 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 0.0 110.623 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -105.52 17.12 24.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.368 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.7 m95 53.87 41.52 32.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.285 -177.212 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -110.86 113.15 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.132 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.64 93.73 34.12 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.291 -177.468 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.74 145.07 91.73 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.588 2.192 . . . . 0.0 112.602 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -79.04 78.49 5.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.189 0.995 . . . . 0.0 109.606 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.652 ' O ' ' HG3' ' A' ' 44' ' ' MET . 14.5 t70 -143.98 145.52 32.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.077 -175.211 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.2 -28.8 65.14 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.562 0.539 . . . . 0.0 111.348 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -59.43 -57.34 13.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.052 0.454 . . . . 0.0 110.64 176.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.8 m -59.04 -34.17 71.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.155 178.035 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.4 mtt -67.18 -47.04 72.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.57 -174.092 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.05 -49.43 77.93 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.264 176.313 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.02 -39.83 83.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.832 178.181 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -61.0 -50.11 74.72 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.331 -179.237 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.9 t -59.31 -47.93 83.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.7 t -61.4 -47.19 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.502 . . . . 0.0 111.015 -177.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -63.37 -27.92 69.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.689 179.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -79.29 -39.88 31.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.994 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -68.76 -27.02 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.617 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.54 8.89 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.601 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 54.75 48.57 19.89 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -124.87 -17.38 5.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.195 -176.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -139.18 144.13 38.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.507 178.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -123.26 137.79 54.78 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.61 -12.83 61.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.0 m -103.5 -63.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 111.568 177.035 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.43 -8.98 58.58 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -174.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.93 -144.27 27.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.342 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.64 123.72 10.42 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.392 2.062 . . . . 0.0 111.764 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.2 mt -83.16 90.83 7.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.767 -178.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.4 t -49.32 -43.98 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.823 -1.081 . . . . 0.0 112.78 -174.369 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.53 -49.93 73.38 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -176.36 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.02 -35.48 80.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.987 0.423 . . . . 0.0 110.326 177.305 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.9 -48.98 79.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.281 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.18 -38.78 78.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 177.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -57.49 -34.67 69.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.765 178.355 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.61 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 7.9 tp60 -89.73 -56.32 3.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.525 -177.101 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 74' ' ' HIS . 94.8 mt -62.96 -43.21 99.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.378 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.11 34.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 72' ' ' LEU . 4.5 t60 -73.4 86.58 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 30.44 7.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 178.542 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -153.26 167.6 28.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 110.677 178.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' HG21 ' A' ' 81' ' ' VAL . 3.2 m-20 -61.51 108.48 0.97 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.713 178.218 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.41 66.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.195 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.76 -52.55 64.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.118 178.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.66 -43.21 85.16 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.243 -178.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 77' ' ' ASP . 88.6 t -57.33 -48.86 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 178.052 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -55.82 -46.09 78.18 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 110.714 177.195 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -62.0 -49.62 75.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.21 -178.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.05 -43.59 91.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.667 178.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.481 ' O ' HG22 ' A' ' 89' ' ' VAL . 29.4 t -56.96 -48.88 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 175.87 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.33 -27.35 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.906 -177.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.96 -14.05 62.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 110.618 177.352 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 m -109.95 -11.1 14.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.734 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 85' ' ' VAL . 59.5 t -82.86 133.08 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.111 176.691 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -158.55 162.83 37.42 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.39 154.68 41.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.079 0.466 . . . . 0.0 111.277 -176.142 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -73.53 74.68 1.46 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.584 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.3 p -80.83 -23.21 39.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.416 ' CG ' ' HD1' ' A' ' 99' ' ' HIS . 17.0 t70 -77.27 -19.49 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.554 -177.727 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 65.54 22.6 11.79 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.506 178.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -139.06 114.28 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.321 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.65 70.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.929 -174.218 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -63.05 -42.16 99.66 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.611 178.151 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.416 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 16.7 t-160 -81.72 -24.72 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -62.78 -54.57 37.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.173 177.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.88 93.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.725 178.629 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.472 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.1 t80 -65.39 -33.59 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.817 -178.053 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -67.81 -37.52 82.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.668 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.08 -44.56 91.09 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.553 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -66.66 -48.83 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.24 . . . . 0.0 110.883 -179.379 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -60.5 -45.51 93.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -177.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.83 -44.53 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.091 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -75.62 -46.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.988 -174.075 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -69.77 -13.02 62.07 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.834 0.349 . . . . 0.0 111.562 -177.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.011 0.434 . . . . 0.0 110.32 178.061 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -113.87 -26.82 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.436 -173.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -132.94 61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.983 0.42 . . . . 0.0 110.935 -174.26 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.1 tp -83.02 -31.12 27.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.994 0.426 . . . . 0.0 111.108 -178.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -64.69 -35.1 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.088 -178.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.9 -32.82 74.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 178.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.87 -41.13 84.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.186 178.096 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -66.76 -40.54 88.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.809 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -24.57 59.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.311 178.414 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.61 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 27.5 t -63.5 -45.1 92.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.399 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.99 -1.65 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.201 0.524 . . . . 0.0 111.303 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.949 -176.578 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptm . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.547 0.689 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -89.96 112.0 23.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.142 -172.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -100.92 119.15 38.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.209 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.03 112.75 25.74 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.348 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -70.29 139.64 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 p -88.16 107.58 18.84 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.8 p -82.16 -179.95 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.648 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -60.67 -35.76 77.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.991 0.424 . . . . 0.0 111.077 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -67.05 -37.28 83.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.245 0.545 . . . . 0.0 109.639 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 61.4 tp -63.92 -36.19 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.183 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -67.96 -21.44 65.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.073 0.463 . . . . 0.0 110.485 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 93.4 mtt180 -80.56 -55.29 4.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.28 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.02 -45.57 79.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.783 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.78 -36.19 83.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.077 -175.47 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.1 m -63.72 -48.99 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.9 mm-40 -63.67 -37.85 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.7 m -65.57 -35.73 81.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -52.98 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.664 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -67.18 -21.62 65.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.057 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.3 m -89.76 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.231 -0.293 . . . . 0.0 111.255 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.0 12.15 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 55.4 35.26 24.66 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -66.72 121.75 78.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.61 138.61 81.09 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.817 2.345 . . . . 0.0 111.776 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.02 -32.78 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.261 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.13 -46.04 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.214 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -63.17 -38.49 91.39 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.83 -39.1 80.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.107 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 19.7 mm-40 -59.55 -40.47 87.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.358 175.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.84 -49.67 75.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.115 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.61 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 13.9 m-85 -57.45 -33.19 67.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.515 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.448 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -98.06 22.25 9.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.0 m95 50.69 47.29 24.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.311 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -119.81 109.32 15.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.852 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -113.96 105.21 54.63 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.087 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.62 149.68 68.1 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.42 83.08 5.48 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.361 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.708 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -149.34 150.14 31.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.673 -175.431 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.906 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.4 m -64.46 -57.14 10.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 m -56.43 -33.87 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.284 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.708 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.1 mtt -66.17 -49.83 66.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.46 -29.89 70.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.415 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.656 ' HH ' ' C1 ' ' A' ' 201' ' ' ACD . 21.3 t80 -59.8 -50.03 75.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.296 175.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.72 -38.93 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.915 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.371 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 23.7 t -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.194 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.94 -48.22 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.065 0.46 . . . . 0.0 110.976 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -64.57 -23.73 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.984 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -80.56 -41.91 23.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.234 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 1.4 mptm? -73.55 -18.09 61.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.1 mtp -89.33 -0.55 57.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.519 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 55.88 48.94 16.98 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mt -121.9 -16.13 7.67 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.119 -175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -140.79 142.32 34.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.6 t70 -125.33 146.66 49.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.698 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.62 -12.42 60.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.474 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.432 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 18.5 m -101.1 -63.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.582 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -77.0 -15.45 59.63 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.82 -138.12 19.69 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.863 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.28 124.3 11.95 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.351 2.034 . . . . 0.0 112.064 -178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.4 mt -82.96 91.41 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 69' ' ' VAL . 79.4 t -48.9 -46.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.378 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.03 -56.36 22.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.491 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.24 -32.59 74.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.355 . . . . 0.0 110.441 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.1 -49.38 77.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.04 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 65' ' ' VAL . 0.9 OUTLIER -76.04 -29.93 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.257 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.65 -28.77 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.141 0.496 . . . . 0.0 110.76 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -89.46 -59.59 2.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.861 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 74' ' ' HIS . 91.6 mt -61.15 -42.79 99.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.18 33.2 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.466 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.3 t-80 -71.64 87.6 0.94 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.64 16.76 25.67 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.534 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -144.06 162.67 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 81' ' ' VAL . 31.5 t70 -65.13 117.27 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.332 0.587 . . . . 0.0 111.142 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.42 74.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.301 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -65.38 -44.96 85.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 28.9 tt0 -65.16 -44.05 89.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.285 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 77' ' ' ASP . 85.0 t -56.98 -46.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.374 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -53.83 -43.61 69.56 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 175.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 80' ' ' GLU . 17.6 m -60.43 -54.13 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 25.3 mt-10 -58.6 -40.42 83.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.558 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.427 ' O ' HG21 ' A' ' 89' ' ' VAL . 33.1 t -59.88 -48.87 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.716 0.293 . . . . 0.0 111.055 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.6 mt -59.15 -28.76 66.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.559 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.97 -6.63 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.722 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m -118.23 -6.7 10.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.094 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 85' ' ' VAL . 86.9 t -81.47 125.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.933 0.397 . . . . 0.0 110.042 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -138.82 -177.02 4.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.843 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -100.4 152.77 19.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.048 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -80.14 64.02 4.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.7 t -73.62 -19.65 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.588 0.709 . . . . 0.0 110.604 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.47 -18.63 48.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.303 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.2 m120 66.08 19.43 11.16 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.071 -0.968 . . . . 0.0 113.473 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.55 127.13 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 171.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.73 76.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.021 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 86.1 m -62.76 -39.44 94.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.053 0.454 . . . . 0.0 110.199 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -78.6 -27.24 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -64.65 -55.12 22.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 110.034 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.1 79.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.571 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.438 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.7 t80 -68.43 -33.0 73.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.943 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.57 -45.52 94.49 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.336 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.66 -47.93 76.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -63.17 -41.15 99.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.3 t -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.106 0.479 . . . . 0.0 111.132 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.8 -48.24 32.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.66 -27.98 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.731 0.3 . . . . 0.0 111.46 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.19 -14.57 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.889 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.1 -32.54 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.677 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -139.37 69.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.287 -174.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -85.31 -29.72 24.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.871 0.367 . . . . 0.0 110.755 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.8 t -63.73 -36.71 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.131 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 38.2 tp -65.75 -35.34 80.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.392 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.56 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.15 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.19 -36.9 80.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.846 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.33 65.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.1 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.44 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 96.7 p -62.64 -38.18 89.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.337 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.0 pt -90.41 -3.73 10.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.992 0.425 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -90.08 131.31 36.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -73.93 110.85 8.55 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.53 -0.747 . . . . 0.0 110.635 -173.602 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.656 ' C1 ' ' HH ' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.909 0.385 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.29 124.0 48.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -81.1 115.76 20.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.627 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.95 111.26 23.63 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.561 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -80.69 148.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -73.77 97.37 2.71 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.605 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 p -86.22 -177.62 6.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -43.96 72.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.141 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.53 -47.02 83.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.269 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 13' ' ' ARG . 10.3 m-20 -67.65 -39.76 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 0.0 110.497 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.1 tp -62.36 -34.19 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.014 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.91 -35.05 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.586 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 55.7 ttt180 -59.82 -53.75 54.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.939 176.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -64.93 -29.69 70.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.789 -172.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 34.9 mtt180 -60.4 -42.12 95.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.625 176.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -64.61 -46.68 81.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.384 -176.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.64 -37.76 88.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.653 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -77.46 -30.92 53.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.29 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.14 -51.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.117 0.484 . . . . 0.0 110.406 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 p -66.28 -37.33 85.2 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.581 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -71.68 -48.27 48.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.09 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.28 10.75 16.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.657 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 55.35 33.1 20.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.821 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.03 124.95 85.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.808 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -63.68 143.99 88.28 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.859 2.372 . . . . 0.0 111.755 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.848 -176.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -54.04 -50.28 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 36.9 m-85 -60.83 -36.1 78.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.537 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.52 -44.63 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.235 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.6 mt-10 -61.98 -32.18 72.6 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.18 0.514 . . . . 0.0 110.462 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 66.4 mttm -66.96 -54.52 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.554 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.568 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 13.6 m-85 -57.14 -34.09 68.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.273 -176.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -59.88 -37.63 79.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -97.44 26.75 4.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.51 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.6 m95 55.66 40.27 30.93 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 31' ' ' LYS . 46.3 mt-10 -106.06 111.53 24.2 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -122.27 83.01 45.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.457 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -59.5 149.0 84.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.844 2.362 . . . . 0.0 112.401 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -76.05 79.11 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.796 0.808 . . . . 0.0 109.747 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.612 ' O ' ' HG3' ' A' ' 44' ' ' MET . 15.3 t70 -141.34 144.06 34.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.026 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.81 -25.89 66.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.62 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 m -64.63 -56.05 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 110.446 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.8 m -56.34 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.206 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.612 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -65.32 -53.24 46.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.7 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.09 -30.85 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.675 0.274 . . . . 0.0 110.282 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.679 ' HH ' ' C1 ' ' A' ' 201' ' ' ACD . 42.4 t80 -59.67 -49.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 176.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.28 -38.78 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -62.16 -53.56 53.66 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.712 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.3 -49.94 68.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.494 HG11 ' H32' ' A' ' 201' ' ' ACD . 45.3 t -61.61 -45.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -178.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.4 m-30 -63.92 -25.9 68.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -84.01 -36.36 23.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.069 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.4 mmm -88.23 0.59 55.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.919 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 53.45 53.86 11.0 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.321 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 mt -127.11 -17.42 4.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.234 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 81.4 t80 -140.59 134.99 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 23.5 t70 -120.53 144.62 47.95 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.0 -16.76 61.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.026 0.441 . . . . 0.0 111.371 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.431 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 25.3 m -97.9 -64.03 1.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.181 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -70.78 -24.24 62.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.626 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.37 -150.03 21.65 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.774 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.67 119.72 7.16 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.724 2.283 . . . . 0.0 111.53 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.58 87.17 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' O ' HG21 ' A' ' 69' ' ' VAL . 76.6 t -48.77 -45.5 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.493 -174.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.61 -50.44 72.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.615 0.245 . . . . 0.0 111.32 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -65.49 -34.49 78.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.271 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.09 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.307 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 65' ' ' VAL . 65.7 t -69.0 -36.54 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -66.33 -34.07 77.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.469 . . . . 0.0 111.109 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.416 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 25.2 tp60 -82.24 -59.56 2.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.932 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.67 -53.98 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 69' ' ' VAL . . . -85.45 32.74 0.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -68.62 108.05 3.2 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.336 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.59 36.0 75.55 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -148.26 170.34 18.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.418 ' O ' HG21 ' A' ' 81' ' ' VAL . 11.6 m-20 -63.44 92.3 0.06 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.954 0.406 . . . . 0.0 111.368 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.14 74.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.428 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.12 -47.88 80.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.322 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.83 -45.44 82.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 77' ' ' ASP . 56.7 t -58.41 -51.95 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.553 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -54.97 -43.14 73.22 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.015 0.436 . . . . 0.0 110.685 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -60.24 -51.76 68.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.251 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -60.89 -40.36 92.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.881 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.491 ' O ' HG21 ' A' ' 89' ' ' VAL . 31.7 t -56.8 -48.35 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.2 mt -58.73 -29.53 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.219 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.97 -22.91 66.5 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.778 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -105.31 -10.19 17.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.925 -175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 85' ' ' VAL . 63.9 t -80.41 131.19 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.026 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.405 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 14.3 t70 -155.25 169.28 24.54 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -75.93 158.3 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.17 0.51 . . . . 0.0 111.276 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -73.87 71.77 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.915 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 p -87.93 -1.97 58.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.544 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.16 -21.72 29.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 62.27 19.05 10.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 122.026 0.917 . . . . 0.0 110.462 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -150.61 117.41 5.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.77 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.936 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.35 -44.62 95.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.792 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.504 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 23.3 t-80 -82.84 -23.83 33.57 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.568 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -66.87 -54.55 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.038 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.95 86.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.5 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.09 -31.71 72.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.615 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 90' ' ' ASP . 6.4 ttm180 -69.25 -42.2 75.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.33 -45.32 95.33 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.72 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.485 ' CZ ' ' H5 ' ' A' ' 201' ' ' ACD . 21.4 t80 -67.44 -45.26 76.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -64.79 -40.8 95.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.12 -41.39 99.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.27 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -76.05 -46.66 28.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.509 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.8 -21.55 66.5 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.702 0.286 . . . . 0.0 111.263 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.42 -35.92 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.802 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -119.72 -17.03 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.914 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -139.39 70.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.37 -32.43 17.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.2 m -63.24 -33.58 75.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.747 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 50.8 tp -67.85 -34.74 77.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.331 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.21 -43.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.992 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -62.25 -39.88 94.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.263 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.276 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.416 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 27.3 t -56.6 -47.48 79.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.548 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 45.4 pt -94.81 2.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.417 . . . . 0.0 111.377 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -79.82 120.58 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -57.99 130.49 46.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.877 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.752 -177.475 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.679 ' C1 ' ' HH ' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.869 0.366 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -134.11 102.2 5.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.457 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.48 126.33 27.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.481 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 129.81 45.16 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.358 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 m -89.21 143.9 10.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.849 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m -71.4 105.21 3.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.281 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -81.42 -176.5 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.45 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.4 m -55.83 -45.08 78.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.78 -42.32 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.95 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.72 -40.01 91.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 0.0 109.967 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.1 tp -61.8 -32.45 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -64.31 -37.41 87.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.536 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.629 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 47.0 ttt180 -60.31 -62.23 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.329 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -58.63 -39.13 79.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.693 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.889 0.376 . . . . 0.0 110.099 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -64.58 -50.41 67.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.14 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 14.8 mt-10 -60.81 -38.2 84.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.243 -178.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 98.0 m -70.26 -35.28 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.857 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.98 -52.93 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.269 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 t -65.33 -38.17 89.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.18 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 t -69.27 -49.19 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 0.0 111.128 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.38 7.31 23.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 55.93 42.74 28.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.407 0.622 . . . . 0.0 110.637 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mm -71.44 118.92 70.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.05 145.21 98.94 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.405 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.98 -30.58 61.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.008 -177.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -53.49 -55.24 27.01 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.0 m-85 -58.78 -39.9 82.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.239 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -56.51 -43.06 77.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.72 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -62.68 -42.95 99.9 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.81 -47.16 87.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.5 m-85 -57.95 -35.28 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.59 -35.64 81.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.56 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -89.3 21.51 3.26 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.868 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.3 m95 53.99 45.26 27.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.017 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -121.51 111.01 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -115.79 97.98 50.08 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.88 145.75 71.49 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.824 2.35 . . . . 0.0 112.758 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.44 78.58 7.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.678 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' A' ' 44' ' ' MET . 2.1 p30 -155.51 167.99 28.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.147 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -49.98 -46.47 52.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -171.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -56.44 15.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.048 0.451 . . . . 0.0 111.587 -175.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.6 m -62.43 -34.45 76.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.627 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.8 mtt -65.52 -49.28 69.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 97.1 m -69.17 -29.21 67.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.84 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -60.39 -51.62 68.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.442 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.4 mm -60.24 -39.16 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.562 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -56.56 -55.64 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.591 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.1 t -57.82 -46.62 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.677 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.56 -46.09 95.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.415 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.953 -177.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -80.32 -40.71 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 47.4 mttm -66.51 -28.29 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.515 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 49.6 mtm -90.71 8.47 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 52.83 47.22 25.14 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.787 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.29 -14.87 9.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.375 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 71.4 t80 -142.0 139.53 32.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.362 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -122.92 142.85 50.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.12 -18.2 65.11 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -106.43 -62.01 1.45 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.806 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.09 -13.03 60.44 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.04 -146.28 31.94 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.402 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.48 124.53 16.33 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 111.973 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.4 mt -86.45 91.77 8.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.63 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 69' ' ' VAL . 87.5 t -51.21 -45.61 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.692 -1.14 . . . . 0.0 113.15 -171.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.92 -55.46 32.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.202 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.12 -33.53 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.356 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' CD2' H162 ' A' ' 201' ' ' ACD . 18.8 mt -61.76 -47.24 86.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.314 178.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 65' ' ' VAL . 81.5 t -69.13 -43.44 81.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.882 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -62.22 -26.69 68.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.003 0.43 . . . . 0.0 110.939 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.48 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 5.5 tp60 -90.25 -60.64 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.455 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 74' ' ' HIS . 89.1 mt -61.1 -42.86 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.162 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 34.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 t-160 -64.07 89.01 0.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.0 27.21 38.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.222 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -143.93 170.44 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.86 -0.2 . . . . 0.0 111.152 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' VAL . 13.4 m-20 -59.91 104.6 0.31 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.782 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.76 78.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.611 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 111.243 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.67 -44.85 89.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.963 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 77' ' ' ASP . 75.7 t -57.93 -48.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.139 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -56.76 -45.09 82.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -61.34 -50.81 71.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.005 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.61 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.537 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.494 ' O ' HG21 ' A' ' 89' ' ' VAL . 24.6 t -58.24 -49.04 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 174.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.52 -29.25 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.907 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -69.67 -18.76 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.644 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 34.2 m -104.11 -3.86 23.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.631 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.494 HG21 ' O ' ' A' ' 85' ' ' VAL . 86.3 t -88.24 107.18 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.748 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -115.52 168.24 10.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.722 175.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -81.21 160.25 24.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.454 . . . . 0.0 110.548 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.458 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 54.3 t30 -80.06 70.46 6.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.578 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.5 p -83.61 -15.83 47.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.647 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.48 -19.18 46.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.818 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 63.29 24.3 14.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.404 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.59 120.83 15.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.422 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.67 70.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -171.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.2 m -62.58 -43.61 98.37 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.701 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -75.41 -28.51 59.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.426 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.458 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 10.5 t90 -66.95 -55.06 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.371 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.36 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.703 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.467 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 81.4 t80 -65.82 -32.28 73.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.906 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.7 -39.54 70.13 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.439 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.408 ' O ' H192 ' A' ' 201' ' ' ACD . . . -61.4 -44.23 98.31 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.294 177.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.95 -47.59 68.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.937 0.398 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.137 -177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.15 -43.41 98.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -77.43 -48.54 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.405 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -60.68 -26.8 67.36 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.883 0.373 . . . . 0.0 111.184 -177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.73 -28.18 69.41 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -109.44 -34.81 6.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -138.06 72.82 1.42 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -171.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.0 tp -89.81 -30.16 18.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.12 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 m -63.82 -35.03 79.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.893 0.378 . . . . 0.0 110.535 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 31.1 tp -64.1 -36.68 84.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.941 176.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.462 HG21 ' C9 ' ' A' ' 201' ' ' ACD . 79.0 mt -65.9 -43.19 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.478 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.18 -44.45 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.807 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.72 73.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.355 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 97.3 p -59.56 -39.39 83.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.791 -176.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.3 pt -89.44 -2.14 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.422 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -83.38 127.5 33.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -142.45 106.53 4.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.192 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.239 -179.695 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.462 ' C9 ' HG21 ' A' ' 116' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.603 0.24 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -166.27 109.06 0.75 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.124 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.89 120.17 9.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.129 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.36 119.9 37.85 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.413 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.27 149.46 5.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.286 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -78.45 101.12 7.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.913 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.4 p -78.21 176.03 9.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.536 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m -55.62 -38.52 69.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.476 . . . . 0.0 110.909 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.67 -40.44 84.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.906 -178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.29 -40.12 95.31 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.427 HD12 ' H32' ' A' ' 201' ' ' ACD . 56.0 tp -63.22 -35.07 79.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.185 -176.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.19 -33.02 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.0 tpm_? -73.15 -41.07 64.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -67.4 -34.68 77.77 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.003 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.615 HH12 ' C1 ' ' A' ' 201' ' ' ACD . 0.3 OUTLIER -60.38 -40.79 92.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.568 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.14 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.981 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.65 -49.32 75.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 -32.7 69.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.597 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.7 -51.24 64.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.746 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 t -66.58 -37.43 84.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.476 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -75.16 -46.66 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.739 0.305 . . . . 0.0 111.602 -175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.8 mt -87.59 13.45 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 53.48 37.22 25.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.513 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.39 119.8 68.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.786 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.62 142.76 99.36 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.077 2.518 . . . . 0.0 112.136 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.44 -33.7 60.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.694 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.32 -51.67 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.544 0.527 . . . . 0.0 111.585 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -61.26 -36.59 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.441 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.66 -40.93 88.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.6 mt-10 -63.12 -35.16 79.34 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.1 0.476 . . . . 0.0 110.347 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -68.58 -48.59 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.157 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 17.3 m-85 -59.48 -31.33 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.03 -24.31 64.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.931 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -117.32 27.28 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 0.0 111.241 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.3 m95 54.68 45.83 25.96 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.117 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -116.57 109.64 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -114.18 97.19 44.84 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -59.42 142.94 99.76 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.326 2.017 . . . . 0.0 112.294 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -81.07 83.09 6.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.575 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.6 t70 -149.84 149.81 31.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.047 -175.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.87 -42.77 37.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.421 0.451 . . . . 0.0 111.448 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.2 m -51.84 -57.71 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.416 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -59.83 -34.73 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.33 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -69.36 -48.68 60.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.162 -174.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.4 m -66.55 -28.89 68.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.94 0.4 . . . . 0.0 110.162 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -61.32 -45.98 92.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.329 175.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.4 -44.26 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.052 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 4.4 ptmm? -66.6 -41.26 88.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.695 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.474 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 13.2 t -59.21 -50.65 73.2 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.9 -46.37 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.302 0.572 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -63.22 -23.86 67.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.09 -39.02 20.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 5.4 mptp? -66.76 -23.74 66.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.025 0.44 . . . . 0.0 110.489 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.06 -0.75 57.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.278 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 57.16 52.63 8.74 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.398 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD13 ' HG2' ' A' ' 71' ' ' GLN . 6.9 mt -125.84 -20.11 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.654 -174.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.2 t80 -136.91 138.98 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.009 0.433 . . . . 0.0 110.188 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.15 137.12 53.18 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.37 -18.06 64.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 m -99.68 -61.55 1.35 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.457 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -79.34 -7.99 58.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.977 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.72 -153.38 36.52 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.928 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.46 123.32 13.34 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.194 2.596 . . . . 0.0 111.855 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.28 93.04 8.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.1 t -52.14 -44.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.752 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 22.1 t70 -57.89 -54.22 49.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 -177.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.486 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.61 -42.62 99.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 65' ' ' VAL . 67.1 t -69.4 -44.39 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.65 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 53.5 m-70 -63.09 -23.64 67.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 0.0 111.284 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.48 ' HG2' HD13 ' A' ' 56' ' ' LEU . 28.0 tp60 -89.76 -60.39 1.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.742 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 74' ' ' HIS . 92.5 mt -67.67 -41.45 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.83 33.07 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.47 ' H ' ' C ' ' A' ' 72' ' ' LEU . 38.9 t-80 -72.42 81.94 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.72 27.75 7.36 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.518 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -148.27 163.05 38.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.598 0.237 . . . . 0.0 110.803 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.6 111.87 2.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.943 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.43 74.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.124 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.05 -44.54 87.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 111.119 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 32.9 tt0 -67.08 -45.63 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.2 t -58.04 -48.74 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.634 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.86 -43.44 69.53 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.103 0.478 . . . . 0.0 110.519 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -62.84 -52.96 61.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.177 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 18.9 mt-10 -57.87 -40.71 80.88 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.567 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.492 ' O ' HG22 ' A' ' 89' ' ' VAL . 37.1 t -59.87 -51.55 71.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.624 0.25 . . . . 0.0 111.063 176.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.9 mt -56.55 -31.9 64.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.851 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.07 -15.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.2 m -108.64 -6.2 16.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 85' ' ' VAL . 94.8 t -80.15 100.32 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.438 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -103.62 171.81 7.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.541 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -93.45 158.59 15.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -77.99 71.34 4.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -84.84 -20.93 30.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.572 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -78.76 -15.87 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.62 27.86 17.57 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.971 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -146.27 117.83 8.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.029 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.28 71.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.042 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.516 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 68.5 m -66.04 -46.12 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.881 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -76.52 -26.98 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.368 . . . . 0.0 110.027 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -67.21 -57.08 7.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.7 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.35 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.629 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.448 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 70.1 t80 -68.5 -32.93 73.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.554 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -67.7 -43.22 80.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.178 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.423 ' O ' H192 ' A' ' 201' ' ' ACD . . . -62.32 -48.91 79.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.04 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -63.83 -46.27 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 59.4 tttt -65.03 -42.81 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -59.13 -42.76 91.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.403 0.621 . . . . 0.0 110.762 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -73.9 -53.58 9.84 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.84 -174.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.67 -27.54 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.4 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 106' ' ' LYS . 4.4 tmtm? -60.29 -37.29 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.271 0.557 . . . . 0.0 109.75 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -106.98 -25.09 11.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.907 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -140.67 69.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.564 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.8 tp -88.32 -27.97 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.135 0.493 . . . . 0.0 110.51 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 m -61.6 -39.25 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.696 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.3 tp -65.01 -35.08 80.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.8 -39.86 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.33 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.66 -42.44 91.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.16 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.33 66.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.376 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.6 t -58.18 -46.86 85.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.505 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -90.91 -0.54 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.515 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -77.53 119.48 21.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 133.25 37.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.492 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.648 -0.692 . . . . 0.0 110.256 177.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.615 ' C1 ' HH12 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.203 0.049 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 66.79 108.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.684 0.615 . . . . 0.0 111.081 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.3 106.23 1.99 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.461 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.57 121.41 41.14 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.825 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.96 138.57 18.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 174.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 p -81.12 104.52 11.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.369 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -82.45 -176.44 6.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -54.91 -48.41 73.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.407 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.0 -38.99 84.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.788 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -66.81 -43.6 83.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.239 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.688 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.6 tp -59.98 -36.63 77.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.383 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.4 -40.35 68.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.611 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.27 -41.71 89.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.307 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -71.57 -39.02 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.104 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.688 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.0 mtp180 -60.83 -49.92 75.51 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -59.83 -51.42 69.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.891 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.03 -45.09 71.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.779 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.43 -35.62 78.07 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.758 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.02 -54.24 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.008 0.433 . . . . 0.0 110.547 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.1 m -64.94 -28.93 69.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.062 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -82.53 -44.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.64 0.257 . . . . 0.0 111.267 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -83.67 8.04 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.04 36.14 25.79 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.906 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.6 mm -68.57 119.54 69.31 Favored Pre-proline 0 N--CA 1.453 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.197 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.83 142.22 98.73 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.991 2.46 . . . . 0.0 112.482 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.59 -33.0 59.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.744 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.0 -47.48 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.406 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -65.9 -34.17 77.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.594 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.4 t -60.24 -43.51 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 15.2 mt-10 -61.06 -32.08 71.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.004 0.431 . . . . 0.0 110.659 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -65.98 -53.33 40.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.288 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.34 -31.38 67.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.336 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -56.88 -36.64 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.93 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -105.03 29.23 6.51 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.152 0.501 . . . . 0.0 110.703 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 78.7 m95 50.71 50.28 19.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.105 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -114.93 111.22 20.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.956 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -114.27 99.23 50.58 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.554 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.18 143.3 83.52 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.313 2.009 . . . . 0.0 111.974 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.67 80.65 8.72 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -152.44 142.43 22.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.333 -171.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.19 -26.78 12.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.001 0.813 . . . . 0.0 112.542 -169.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -57.8 -55.53 33.69 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.17 0.509 . . . . 0.0 110.822 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m -62.16 -35.38 78.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.29 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -57.71 10.96 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.784 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.9 m -64.66 -32.89 74.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.771 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HH ' ' C1 ' ' A' ' 201' ' ' ACD . 35.3 t80 -60.02 -48.97 79.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.437 177.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.69 -38.35 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.939 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.89 -49.73 73.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.268 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 t -56.61 -49.29 75.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.125 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.455 HG13 ' H32' ' A' ' 201' ' ' ACD . 54.7 t -63.34 -47.59 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 111.139 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.7 m-30 -63.26 -27.68 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.802 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -78.4 -37.72 43.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.61 -27.93 68.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.3 mtp -92.28 6.91 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.774 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER 50.75 47.36 24.63 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.22 -176.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 mt -117.59 -20.51 8.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -174.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.477 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 63.9 t80 -139.38 138.54 36.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.771 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -116.31 138.36 51.38 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.14 -21.37 66.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.978 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.8 m -99.46 -63.17 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.99 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.72 -14.23 60.33 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 -152.45 25.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.599 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.52 123.86 13.56 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.993 2.462 . . . . 0.0 111.917 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -85.63 90.25 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.423 ' O ' HG21 ' A' ' 69' ' ' VAL . 81.9 t -49.15 -46.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 114.779 -1.101 . . . . 0.0 112.765 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.16 -50.39 73.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.58 0.229 . . . . 0.0 111.384 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.24 -34.91 79.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.314 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.95 -44.92 94.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.076 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 65' ' ' VAL . 92.0 t -67.83 -44.37 85.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 176.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -63.31 -25.67 68.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.922 0.391 . . . . 0.0 111.279 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -90.42 -60.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.714 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 81.5 mt -62.2 -43.68 98.28 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.387 -175.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.56 33.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.0 t-80 -70.15 87.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.995 0.426 . . . . 0.0 110.171 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.53 11.03 49.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.332 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -131.94 168.37 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.467 0.175 . . . . 0.0 110.717 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.79 115.68 6.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.369 0.604 . . . . 0.0 110.991 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.45 77.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.43 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.79 -43.43 88.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.132 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.42 -49.31 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.188 0.518 . . . . 0.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.53 -49.63 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.475 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -53.01 -42.01 65.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 110.853 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -62.95 -55.14 28.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.482 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.31 -33.62 76.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.908 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 89' ' ' VAL . 26.0 t -60.63 -50.3 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.642 0.258 . . . . 0.0 110.818 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 mt -56.78 -32.37 65.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.871 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -70.34 -18.64 63.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.527 . . . . 0.0 110.718 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.7 m -103.79 -9.57 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.2 t -73.25 99.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.75 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -104.71 174.08 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.14 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -101.44 159.73 15.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.446 . . . . 0.0 110.587 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.482 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.9 t30 -78.11 65.0 3.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.428 0.633 . . . . 0.0 110.173 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.9 p -68.12 -36.21 79.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.57 -176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.18 -5.71 58.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.365 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 95' ' ' ASN . 0.9 OUTLIER 65.97 37.91 5.17 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.647 174.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.62 121.97 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 173.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.67 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.249 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.69 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.174 0.512 . . . . 0.0 110.082 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -75.47 -27.61 58.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.556 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.482 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.1 t90 -73.66 -52.71 12.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.772 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.03 90.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -66.89 -29.12 68.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.433 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -67.14 -44.26 80.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.63 -46.55 93.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.92 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.7 -49.37 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.75 -44.76 90.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.474 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.61 -44.15 97.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.431 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -75.37 -46.74 31.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.916 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.85 -14.77 62.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.765 0.317 . . . . 0.0 111.535 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -68.02 -23.37 64.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -127.67 -30.96 2.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.467 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -129.5 60.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.171 -172.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.3 tp -81.0 -30.39 35.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.971 0.415 . . . . 0.0 110.736 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 p -63.31 -32.25 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.46 . . . . 0.0 110.242 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.401 HG22 ' C9 ' ' A' ' 201' ' ' ACD . 90.5 mt -66.52 -35.9 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.427 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -72.45 -30.24 64.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.98 -33.29 30.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 41.7 p -63.92 -30.47 71.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 0.0 111.836 -176.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.7 pt -93.59 -3.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -91.0 117.61 29.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.134 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -117.64 13.7 14.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.491 0.662 . . . . 0.0 109.363 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.555 177.275 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.558 ' C1 ' ' HH ' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mmm . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.834 0.35 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -98.72 124.08 43.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 110.498 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -114.31 125.39 53.83 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.787 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.52 118.0 35.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.292 174.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.81 134.65 29.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.424 0.631 . . . . 0.0 109.497 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -84.05 113.08 20.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.54 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.7 p -82.32 174.47 11.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.565 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.45 -41.23 76.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.655 0.264 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.82 -49.45 77.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.734 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -61.55 -39.67 91.94 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.943 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 63.4 tp -62.57 -40.5 97.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.811 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.14 -31.05 71.48 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.098 0.475 . . . . 0.0 110.45 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.567 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 77.5 ttt180 -68.48 -47.83 66.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.083 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.09 -34.54 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 14.3 mtt180 -57.3 -50.35 73.19 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -59.21 -44.83 92.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.791 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 5.8 mm-40 -64.89 -32.39 74.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.096 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.34 -29.62 30.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.849 0.357 . . . . 0.0 111.079 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 t -68.96 -50.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.07 0.462 . . . . 0.0 110.503 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -62.17 -37.08 83.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.768 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 p -81.42 -46.55 14.44 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 122.293 -0.255 . . . . 0.0 111.679 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.67 9.44 9.57 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.3 m120 54.58 39.16 30.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.368 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.38 123.57 88.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.461 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -60.47 141.88 96.58 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.932 2.421 . . . . 0.0 112.167 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.05 65.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.604 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.96 -50.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.925 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -59.09 -36.8 75.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.347 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -57.83 -41.71 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -64.51 -31.48 72.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.09 -54.7 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.23 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.635 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 15.2 m-85 -56.99 -38.57 73.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.322 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -63.0 -21.66 66.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' HE2' ' OE2' ' A' ' 36' ' ' GLU . 36.3 mtmm -110.37 20.8 17.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.089 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.471 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.6 m95 59.03 47.67 11.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.172 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 49.9 mt-10 -121.47 109.66 15.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.93 0.395 . . . . 0.0 110.145 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -115.58 100.0 53.09 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -64.17 145.65 89.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.556 2.171 . . . . 0.0 112.357 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.77 79.44 9.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.841 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.628 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.4 OUTLIER -150.82 157.88 43.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.25 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -52.8 -40.12 62.98 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -172.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -57.44 -56.52 20.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.1 0.476 . . . . 0.0 111.094 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 m -60.59 -35.44 76.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.25 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -61.8 -54.28 44.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.51 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.413 ' CA ' ' HB3' ' A' ' 98' ' ' CYS . 2.1 t -75.89 -21.38 57.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.725 -175.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.571 ' HH ' ' C1 ' ' A' ' 201' ' ' ACD . 29.5 t80 -58.92 -47.48 84.89 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 171.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.05 -36.76 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.617 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.5 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 4.8 tmmm? -60.08 -54.31 47.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.189 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -56.93 -47.61 80.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.479 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.99 -49.43 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.8 m-30 -64.49 -25.86 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.979 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -78.15 -40.4 38.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.95 -22.09 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.996 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.45 2.54 55.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.475 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 58.25 45.75 16.77 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.23 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -123.35 -17.96 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 111.326 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.5 t80 -137.33 140.2 41.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.925 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 29.4 t70 -119.16 138.8 52.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.75 -10.83 60.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.651 -175.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.482 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 52.3 m -101.83 -65.09 1.0 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.527 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.14 -12.48 60.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.63 -151.29 24.01 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.021 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.07 123.17 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.788 2.325 . . . . 0.0 111.529 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.6 mt -83.78 89.6 7.2 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -51.4 -37.52 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.46 -174.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.16 -55.08 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.312 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -64.39 -34.36 77.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.369 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.417 HD23 H162 ' A' ' 201' ' ' ACD . 17.5 mt -59.9 -43.97 94.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.729 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 65' ' ' VAL . 90.6 t -69.33 -41.93 81.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.863 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -62.58 -25.04 67.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.222 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -90.28 -60.41 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.397 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.608 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 95.2 mt -64.39 -45.5 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.542 -174.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.91 26.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -174.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 72' ' ' LEU . 60.9 t60 -74.43 92.27 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.86 19.67 16.67 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.366 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -146.68 167.12 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.468 0.175 . . . . 0.0 110.543 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' O ' HG21 ' A' ' 81' ' ' VAL . 1.6 m-20 -63.98 105.93 0.95 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.797 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.04 -32.43 64.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.995 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.69 -49.47 76.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.928 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.09 -42.96 72.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.645 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 77' ' ' ASP . 86.5 t -56.37 -47.9 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.544 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -55.8 -43.3 76.72 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.651 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.8 m -61.2 -53.29 58.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.224 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.97 -40.16 92.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.822 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.508 ' O ' HG22 ' A' ' 89' ' ' VAL . 29.0 t -59.26 -48.98 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.626 0.25 . . . . 0.0 110.78 175.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.59 -30.39 68.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -65.7 -18.48 65.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.156 0.503 . . . . 0.0 110.737 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 35.7 m -105.32 -7.25 18.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.684 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 85' ' ' VAL . 39.9 t -95.74 110.37 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.275 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -146.49 -175.11 4.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.624 174.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -65.09 150.16 48.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -167.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -82.7 81.96 8.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.561 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.1 p -84.37 -9.86 58.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.209 0.528 . . . . 0.0 110.529 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.61 -20.73 46.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.259 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.75 20.07 11.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.037 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -147.45 127.31 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.15 -28.29 66.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -173.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.5 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 38.8 m -63.36 -39.96 95.96 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -71.98 -44.89 62.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.11 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -62.63 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.23 -173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.01 88.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.731 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 86.7 t80 -65.61 -31.38 72.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -66.76 -44.08 82.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.62 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.407 ' O ' H192 ' A' ' 201' ' ' ACD . . . -67.05 -44.51 87.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.702 178.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.45 -46.34 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.801 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -60.1 -41.62 92.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.314 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -63.1 -45.92 89.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.353 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -74.22 -46.59 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.344 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -66.12 -12.28 54.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.97 -37.9 89.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.79 -17.23 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.327 -176.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -127.27 58.8 1.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.664 0.268 . . . . 0.0 111.379 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 tp -86.05 -35.48 20.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.321 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.1 m -61.25 -33.52 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.87 -42.46 94.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.165 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.429 HG22 ' C9 ' ' A' ' 201' ' ' ACD . 84.1 mt -59.99 -43.34 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.526 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.471 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.4 mttt -64.12 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.978 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.76 -23.43 49.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.037 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.608 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 39.9 m -67.2 -36.88 82.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.726 0.298 . . . . 0.0 111.506 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 36.6 pt -91.66 2.78 7.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 111.142 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -88.96 133.5 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.324 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -98.36 114.53 26.89 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.562 -178.298 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.635 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 121.051 0.453 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -91.1 126.35 36.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.461 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -70.25 112.17 6.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.937 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.34 114.5 22.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.153 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.29 157.59 2.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.092 177.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -82.46 94.4 7.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.1 p -83.33 -173.37 4.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.635 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.0 m -58.64 -41.23 85.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.433 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.83 -44.56 96.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.72 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.28 -39.38 86.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 59.1 tp -62.14 -34.24 76.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.962 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -63.85 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.652 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 67.4 ttt180 -70.98 -63.22 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.337 177.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.58 -39.63 70.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.408 -173.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.32 -36.33 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.819 -176.098 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.4 m -71.37 -46.46 60.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.984 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.652 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 12.0 mt-10 -60.73 -35.85 77.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.427 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.9 m -71.54 -34.28 69.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.595 0.236 . . . . 0.0 110.691 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.52 -51.22 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.541 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -61.77 -39.82 92.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.596 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 m -75.57 -43.78 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -84.99 12.47 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 54.64 37.92 29.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.108 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.28 119.07 69.8 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.263 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -62.94 144.01 92.38 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.806 2.337 . . . . 0.0 111.847 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -53.44 -32.14 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.34 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.52 -53.96 39.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.383 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -61.84 -36.33 80.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.63 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.23 -39.91 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.357 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 5.0 mm-40 -58.65 -38.2 77.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.973 0.416 . . . . 0.0 110.37 176.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -67.71 -46.61 71.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.41 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 13.5 m-85 -63.36 -19.61 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.614 -176.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -79.51 -10.62 59.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.196 0.522 . . . . 0.0 110.249 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -116.03 22.9 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 55.33 36.04 26.22 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.97 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -107.36 110.18 22.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.526 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.99 91.3 39.36 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.672 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.24 147.65 93.71 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.442 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.15 87.11 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.73 0.776 . . . . 0.0 110.925 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.2 t70 -146.44 145.1 30.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.812 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.24 -26.31 60.54 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.675 0.609 . . . . 0.0 111.374 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.457 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.9 m -57.63 -37.57 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.571 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.609 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -65.36 -48.99 71.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -173.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -20.65 52.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.543 -177.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.652 ' HH ' ' C1 ' ' A' ' 201' ' ' ACD . 17.3 t80 -59.88 -48.23 82.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 170.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.43 -38.63 78.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.514 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.5 -52.11 67.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.771 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.6 t -59.14 -48.2 82.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.505 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.75 -47.92 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.22 0.533 . . . . 0.0 110.855 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -65.22 -25.68 67.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.785 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.55 -43.28 39.68 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.411 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -75.02 -23.91 58.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.8 mtp -86.86 3.95 43.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 55.95 44.06 26.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.926 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 mt -117.6 -18.85 9.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.868 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -137.42 134.58 36.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.548 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.68 137.08 51.5 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.12 -24.08 67.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.928 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.2 m -95.71 -64.07 1.09 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.851 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.91 -13.87 60.26 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.96 -148.59 22.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.165 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.43 123.96 11.47 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.454 2.103 . . . . 0.0 111.96 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -83.55 96.47 8.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.482 ' O ' HG22 ' A' ' 69' ' ' VAL . 90.4 t -50.22 -46.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.759 -174.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.69 -51.78 67.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.663 0.268 . . . . 0.0 111.331 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.01 -37.48 77.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.233 0.54 . . . . 0.0 109.987 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD22 H162 ' A' ' 201' ' ' ACD . 21.1 mt -63.02 -43.48 98.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.185 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 65' ' ' VAL . 98.6 t -69.38 -42.99 81.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 111.427 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -90.85 -57.4 2.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.123 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 74' ' ' HIS . 83.9 mt -63.75 -44.55 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.71 34.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.466 ' H ' ' C ' ' A' ' 72' ' ' LEU . 18.7 t60 -65.86 90.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.305 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.43 28.91 31.61 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.33 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -147.22 166.54 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.605 0.24 . . . . 0.0 111.114 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' ' 81' ' ' VAL . 18.4 m-20 -59.04 105.1 0.29 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.309 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.785 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.5 -47.51 81.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.081 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.13 -48.75 64.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 77' ' ' ASP . 85.1 t -54.45 -45.98 70.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.482 -177.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -54.29 -46.67 72.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 111.326 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 m -66.34 -53.1 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.153 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.0 -33.09 71.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.858 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.74 -51.01 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.63 0.252 . . . . 0.0 110.886 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.3 mt -56.56 -31.99 64.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.802 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -73.11 -7.82 53.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 110.952 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.37 -12.56 14.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.11 106.44 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.006 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -122.16 175.65 6.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -85.41 156.7 20.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.545 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -78.59 84.1 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.749 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.2 p -83.24 -25.24 31.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 96' ' ' ASN . 4.6 p-10 -85.95 -10.05 55.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.448 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 67.09 24.16 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.669 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.441 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 18.4 t-20 -130.06 120.76 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.698 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 45.5 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.094 0.474 . . . . 0.0 109.734 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -76.66 -32.79 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.818 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -61.09 -52.32 65.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.91 90.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.488 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 84.9 t80 -67.66 -31.25 71.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -66.06 -44.42 84.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.374 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.24 95.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.807 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 110.861 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -65.54 -40.59 93.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.162 -176.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -62.35 -41.91 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 111.157 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.401 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.3 t80 -75.9 -50.93 13.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.089 -173.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.41 -23.99 66.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -61.45 -29.7 70.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.852 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -119.33 -26.8 5.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -134.48 65.41 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.638 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.4 tp -86.52 -29.94 22.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 0.0 110.759 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 m -61.88 -38.46 88.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.67 -34.21 77.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.399 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.78 -40.18 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.393 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.15 -46.14 82.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.034 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.29 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.023 0.439 . . . . 0.0 111.343 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.1 t -54.61 -46.08 73.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.628 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.0 pt -90.42 -1.3 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.545 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -90.23 118.67 29.92 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.483 ' O ' ' HD2' ' A' ' 122' ' ' LYS . 2.9 pptp? -99.42 132.45 44.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.05 0.452 . . . . 0.0 110.083 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.359 -0.829 . . . . 0.0 109.635 179.31 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.652 ' C1 ' ' HH ' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 55.25 77.86 0.2 Allowed 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.739 0.649 . . . . 0.0 111.692 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.7 t80 -66.44 109.29 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.493 . . . . 0.0 109.907 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.44 118.41 36.5 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.61 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.87 137.78 23.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.466 0.651 . . . . 0.0 109.846 -176.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -90.44 106.29 18.4 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.923 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.3 p -79.46 178.87 7.8 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.296 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -52.88 -48.7 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 111.536 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.7 -40.79 98.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -65.2 -38.88 91.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.277 0.56 . . . . 0.0 109.936 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.8 tp -63.95 -33.28 75.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.979 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.97 -30.48 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -63.74 -57.06 11.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.888 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -64.8 -39.0 92.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -64.8 -38.79 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.4 -175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -67.47 -41.8 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.931 0.396 . . . . 0.0 110.647 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.67 -49.22 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.247 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.2 m -64.79 -35.94 82.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.04 -49.81 83.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.135 0.493 . . . . 0.0 110.432 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -64.39 -37.6 88.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.938 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -77.0 -48.21 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.629 0.252 . . . . 0.0 111.414 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.28 10.43 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.6 m120 54.98 40.14 31.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.101 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -67.78 121.7 80.57 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.05 141.97 97.42 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.212 2.608 . . . . 0.0 111.936 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.43 -32.82 65.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.052 -0.977 . . . . 0.0 111.44 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -54.12 -52.27 61.59 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.487 0.492 . . . . 0.0 110.954 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -60.69 -38.38 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.34 -42.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.441 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 10.8 mt-10 -62.25 -38.62 89.98 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.728 0.299 . . . . 0.0 110.224 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.52 -48.55 79.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -61.91 -22.6 65.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.191 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -74.76 -28.93 60.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.045 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -104.53 29.6 6.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.421 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.7 m95 51.7 52.99 13.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.374 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.08 114.08 15.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.037 0.446 . . . . 0.0 110.397 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -120.23 91.35 46.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.273 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -59.36 141.06 97.1 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.54 2.16 . . . . 0.0 112.307 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -73.97 92.57 2.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.223 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.569 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -155.1 149.27 25.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -50.17 -45.23 53.19 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.303 0.377 . . . . 0.0 111.74 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.5 m -51.88 -54.15 32.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.718 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.5 m -60.58 -33.57 72.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.075 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.569 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.9 mtt -69.42 -50.26 47.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.42 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.4 m -64.81 -29.73 70.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.633 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.424 ' O ' HG22 ' A' ' 50' ' ' VAL . 27.8 t80 -60.85 -51.18 70.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.183 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.49 -37.77 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.69 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.39 -53.34 59.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.673 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.05 -46.04 86.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.382 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 46' ' ' TYR . 94.1 t -63.12 -50.24 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -64.68 -26.26 68.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.98 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.82 -41.82 35.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.16 -22.8 54.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.354 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 83.6 mtp -82.34 -2.55 53.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 59.82 48.46 9.03 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.024 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 mt -124.17 -18.88 5.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.911 -176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.2 t80 -141.11 137.64 32.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.303 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.51 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 31.0 t70 -122.72 142.77 50.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.376 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -74.03 -11.94 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.763 0.316 . . . . 0.0 111.229 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.51 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 51.7 m -99.33 -63.99 1.08 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.26 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -79.38 -15.47 57.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.881 -175.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.91 -151.24 25.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.537 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -59.08 121.37 9.82 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.175 2.583 . . . . 0.0 111.704 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 mt -82.24 89.34 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.832 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.0 t -48.95 -46.3 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.753 -173.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.98 -51.86 67.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.591 0.234 . . . . 0.0 111.539 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.54 -34.64 78.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.285 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.17 -47.64 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.506 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.7 t -68.06 -42.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.69 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -59.94 -29.82 68.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -88.96 -60.41 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.258 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 74' ' ' HIS . 85.0 mt -63.53 -41.03 98.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 33.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.99 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.6 t-80 -71.97 83.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.723 178.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.37 33.81 6.08 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.217 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -152.47 171.37 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.275 0.23 . . . . 0.0 110.715 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.64 107.51 2.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.471 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.78 68.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.048 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.8 -41.7 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.054 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -65.55 -45.0 85.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 0.0 110.001 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.71 -47.58 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.318 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -50.95 -45.94 60.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.035 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.2 m -65.11 -52.31 56.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -58.37 -40.14 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.643 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.7 t -60.02 -50.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.576 0.227 . . . . 0.0 110.963 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.44 -32.44 66.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.623 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.23 -8.55 55.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.7 m -113.05 -7.2 13.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.591 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.3 t -79.91 130.57 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.682 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.29 168.98 17.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.113 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -92.4 163.41 13.87 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.371 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.461 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 63.1 t30 -79.96 61.98 4.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.409 0.623 . . . . 0.0 111.332 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.6 p -87.86 -5.14 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.647 0.737 . . . . 0.0 109.107 172.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -82.0 -22.74 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.619 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.85 19.91 11.35 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.181 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -147.67 121.87 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.845 0.355 . . . . 0.0 110.066 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.07 -32.73 74.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.251 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.8 m -62.32 -45.74 91.88 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.872 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -80.88 -26.23 37.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.306 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.461 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.7 t90 -63.31 -52.83 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.986 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . . . -64.91 -40.74 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.905 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.426 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 82.3 t80 -65.6 -32.95 74.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.197 -177.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.6 -37.04 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.0 -44.68 95.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.375 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.54 -47.57 75.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.717 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -62.23 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.24 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.98 -45.49 94.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.427 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 34.2 t80 -72.8 -49.42 30.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.953 -174.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.61 -22.73 67.05 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.782 0.325 . . . . 0.0 111.43 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.028 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -18.61 3.71 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.262 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -135.32 63.23 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.191 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.1 tp -85.94 -32.76 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -64.49 -32.24 73.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.908 0.385 . . . . 0.0 110.183 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.9 tp -67.76 -36.17 80.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.052 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.421 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.6 mttt -64.9 -46.29 82.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.785 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -17.66 60.94 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.828 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.2 t -69.24 -40.52 77.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.946 0.403 . . . . 0.0 110.675 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.4 pt -95.41 -7.57 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -90.54 118.1 29.74 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.239 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 71.33 137.6 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 O-C-N 124.183 0.927 . . . . 0.0 111.712 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.312 -0.852 . . . . 0.0 109.854 175.284 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.404 H162 H132 ' A' ' 201' ' ' ACD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.715 0.293 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.78 118.86 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.639 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.34 106.59 2.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.83 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.74 116.24 31.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.65 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 m -75.14 151.42 6.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.763 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -61.84 114.58 3.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.17 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -96.7 170.04 9.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.389 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -55.73 -49.83 72.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.01 -40.71 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -30.24 38.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.212 0.53 . . . . 0.0 110.637 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.29 -31.4 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.049 174.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.23 -25.5 66.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.547 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 30.9 ttm180 -66.88 -52.96 37.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.759 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.75 -41.92 96.37 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -37.46 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.605 -178.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -64.87 -51.4 62.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.397 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 10.7 mt-10 -59.81 -39.47 85.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.364 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.35 -34.08 70.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.31 -49.82 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.432 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t -70.95 -20.2 62.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.93 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.2 p -90.36 -47.39 7.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.388 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.09 10.04 5.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.282 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 55.62 34.27 22.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.369 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.04 118.34 45.06 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.497 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.5 142.83 96.42 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.939 2.426 . . . . 0.0 111.791 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -27.25 56.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.253 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.01 -55.54 19.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.023 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.2 m-85 -64.53 -37.95 89.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.251 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.67 -41.79 83.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -35.79 80.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.14 -46.17 82.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.718 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 12.5 m-85 -59.08 -29.31 67.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -63.56 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -100.02 23.52 9.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.7 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.6 m95 50.0 42.99 25.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.23 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -111.02 109.63 19.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.831 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -114.97 92.62 31.4 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.289 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.91 146.94 76.72 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.503 2.135 . . . . 0.0 112.34 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -80.03 75.58 6.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.671 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.602 ' O ' ' HG3' ' A' ' 44' ' ' MET . 19.9 t70 -144.28 147.41 33.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.966 -174.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.89 -47.36 11.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.822 0.701 . . . . 0.0 111.973 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.9 m -51.69 -57.39 9.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.641 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 m -59.47 -34.23 72.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.296 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.4 mtt -67.27 -50.42 60.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.419 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.3 m -64.91 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.671 0.272 . . . . 0.0 110.412 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.413 ' O ' HG21 ' A' ' 50' ' ' VAL . 27.0 t80 -60.03 -51.7 68.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.182 176.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.14 -39.3 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.79 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 48' ' ' LYS . 12.9 tmtt? -61.95 -52.51 63.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.255 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.9 t -55.26 -47.08 75.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 46' ' ' TYR . 73.4 t -64.09 -46.38 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 111.329 -178.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.5 -26.77 68.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.765 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.11 -38.04 37.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -62.78 -37.48 86.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.739 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtp -86.93 8.0 24.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.328 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 52.11 46.75 26.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -116.36 -16.13 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.812 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -142.12 130.48 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.74 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -111.93 146.96 36.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.121 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.62 -18.96 65.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.993 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.4 m -102.58 -65.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.825 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -70.36 -21.25 62.9 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.1 -135.89 13.93 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.644 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.8 122.72 10.39 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.278 1.985 . . . . 0.0 111.939 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -82.42 90.96 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.874 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' O ' HG21 ' A' ' 69' ' ' VAL . 96.9 t -50.8 -45.62 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.584 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.83 -52.26 65.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.653 0.263 . . . . 0.0 111.344 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -64.32 -33.01 74.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.39 . . . . 0.0 110.386 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.53 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.056 177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 65' ' ' VAL . 87.2 t -66.1 -45.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.852 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -58.73 -30.82 67.76 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.094 0.474 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -85.63 -60.41 2.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.002 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.674 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 94.5 mt -66.77 -41.44 87.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.701 -173.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.56 32.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' A' ' 72' ' ' LEU . 36.4 t-80 -74.02 85.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.71 23.07 10.34 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.594 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -146.0 165.87 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 111.321 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.29 108.12 0.75 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.22 66.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.443 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.14 -46.72 85.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.29 -42.25 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 0.0 110.364 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.51 -48.02 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.4 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -53.2 -45.74 68.71 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 121.032 0.444 . . . . 0.0 110.379 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 9.9 m -60.13 -52.17 66.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -54.29 -44.22 71.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.36 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.474 ' O ' HG22 ' A' ' 89' ' ' VAL . 40.6 t -59.28 -51.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.04 -25.08 66.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.779 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 83' ' ' THR . 30.0 mtpp -78.62 -6.72 56.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.314 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -117.56 -8.27 10.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.01 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 85' ' ' VAL . 95.8 t -75.24 112.81 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.76 174.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -131.96 179.46 6.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.189 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -87.41 155.97 19.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.868 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.409 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -83.93 64.53 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.652 177.604 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 t -63.46 -15.74 58.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.501 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -89.53 -9.85 48.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.196 0.522 . . . . 0.0 110.755 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.29 44.8 26.84 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.724 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.44 121.64 6.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.703 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.64 73.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.0 m -62.49 -41.04 98.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -82.8 -24.89 33.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.204 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.409 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 8.9 t90 -73.14 -53.23 11.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.515 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.92 81.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.426 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 74.0 t80 -68.46 -31.09 70.14 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.591 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -65.03 -45.9 83.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.958 0.409 . . . . 0.0 110.043 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.42 -46.02 94.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.89 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -64.14 -47.52 79.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -60.55 -44.09 96.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.347 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.26 -43.67 98.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.455 . . . . 0.0 111.061 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 19.4 t80 -74.97 -47.99 26.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.766 -173.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -69.05 -9.67 53.71 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.799 0.333 . . . . 0.0 111.376 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.5 -35.01 79.21 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.004 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.24 -19.37 3.16 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.631 -176.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -123.69 51.91 1.47 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.283 . . . . 0.0 111.122 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.8 tp -83.0 -32.44 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -62.93 -33.38 75.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.29 -40.61 94.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.36 -40.6 88.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.91 -30.01 70.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.814 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.05 -30.91 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.22 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.674 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 15.9 m -60.47 -36.17 77.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.427 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 pt -97.28 1.63 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.1 137.76 32.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.793 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.65 108.18 6.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.186 0.517 . . . . 0.0 111.315 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.013 178.158 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 ttp . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.145 0.498 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.37 93.28 8.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.063 0.459 . . . . 0.0 109.859 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -77.76 118.96 20.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.033 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.28 136.79 45.39 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.915 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.25 138.37 19.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m -88.44 97.95 11.35 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.582 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.0 p -76.81 179.66 5.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.44 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 86.2 m -49.82 -48.19 50.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' OE2' ' HG2' ' A' ' 122' ' ' LYS . 2.1 mp0 -61.5 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.697 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.58 -43.25 97.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.19 -38.21 90.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.078 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 8' ' ' THR . 80.3 mm-40 -67.2 -27.66 67.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.91 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.682 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 77.1 ttt180 -67.65 -60.32 2.64 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.013 174.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.16 -37.99 72.89 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.017 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.453 HH11 ' C1 ' ' A' ' 201' ' ' ACD . 0.9 OUTLIER -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.887 -178.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -65.95 -47.42 74.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.761 0.315 . . . . 0.0 111.2 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.682 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 16.1 mt-10 -63.21 -34.85 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.709 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.506 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 85.3 m -69.76 -34.59 73.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.767 0.318 . . . . 0.0 110.394 174.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.29 -50.67 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 121.072 0.463 . . . . 0.0 110.427 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 t -65.56 -28.73 69.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.2 t -83.44 -50.02 8.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.686 0.279 . . . . 0.0 111.5 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -81.62 10.35 6.16 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 m120 55.82 34.66 23.91 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.0 mm -64.47 121.14 70.95 Favored Pre-proline 0 N--CA 1.452 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.44 142.48 97.93 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.036 2.491 . . . . 0.0 112.05 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.35 -30.24 66.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.38 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -62.87 -42.01 99.6 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.972 0.17 . . . . 0.0 110.653 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -61.68 -38.55 88.22 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.691 0.281 . . . . 0.0 111.137 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.21 -41.76 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 17.7 mt-10 -63.01 -35.65 80.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.407 176.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.98 -50.19 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.304 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HB3' ' O1 ' ' A' ' 201' ' ' ACD . 15.7 m-85 -60.4 -23.32 64.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.226 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -69.65 -28.9 66.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.412 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -104.75 27.63 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.814 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 50.45 46.16 25.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.979 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.05 109.37 18.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.695 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -114.2 97.77 46.53 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.642 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.94 140.59 93.62 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.516 2.144 . . . . 0.0 112.502 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.86 80.4 8.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.591 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.565 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.196 -176.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.8 -44.39 49.12 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -52.52 -60.96 2.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 111.414 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 m -61.14 -33.26 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.567 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.565 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -66.4 -51.37 57.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.512 -176.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.95 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.365 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.446 ' O ' HG22 ' A' ' 50' ' ' VAL . 27.4 t80 -60.17 -50.71 72.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.649 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.6 -38.92 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.02 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -63.1 -49.5 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.261 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 t -56.38 -48.29 77.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.361 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.458 HG11 ' HE1' ' A' ' 54' ' ' MET . 94.9 t -62.69 -47.13 94.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -67.89 -28.37 67.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.858 -177.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 3.4 t-20 -77.54 -38.48 48.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.291 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 25.4 mtpp -71.36 -28.91 64.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.948 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.458 ' HE1' HG11 ' A' ' 50' ' ' VAL . 50.9 mtm -83.8 4.19 30.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.777 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 57.59 31.34 20.2 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.331 0.586 . . . . 0.0 111.735 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 mt -103.75 -18.62 14.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.693 0.758 . . . . 0.0 109.997 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.566 ' O ' ' HA ' ' A' ' 52' ' ' ASN . 67.8 t80 -144.13 127.29 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.751 176.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -98.25 140.68 32.19 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.43 -9.45 34.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.398 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -121.79 -57.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.828 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.83 -4.99 49.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.41 -157.31 42.29 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.535 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -63.38 122.3 10.41 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.383 2.722 . . . . 0.0 112.46 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -85.48 97.28 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.2 t -51.24 -45.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.829 -174.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.54 -52.21 66.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.51 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.67 -33.53 74.14 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.178 0.513 . . . . 0.0 110.166 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.96 -41.09 99.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.443 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.5 t -72.36 -41.3 65.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.86 0.362 . . . . 0.0 111.031 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -64.63 -26.85 68.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -90.6 -60.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 74' ' ' HIS . 81.5 mt -61.32 -45.45 94.39 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.15 34.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.498 ' H ' ' C ' ' A' ' 72' ' ' LEU . 55.6 t-80 -62.38 89.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.391 0.676 . . . . 0.0 110.462 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.76 30.4 35.87 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.358 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -147.33 167.62 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.797 -0.237 . . . . 0.0 111.348 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.51 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.8 m-20 -57.97 101.47 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.969 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.32 91.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.096 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.45 -46.6 88.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.131 0.491 . . . . 0.0 110.869 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 38.1 mt-10 -69.27 -40.1 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 85' ' ' VAL . 61.6 t -56.58 -51.37 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -49.84 -46.24 51.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.6 m -58.55 -50.91 72.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.117 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 23.0 mt-10 -64.76 -30.28 71.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.543 ' O ' HG21 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -75.65 -33.17 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.789 177.714 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.93 -29.9 70.4 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 61.8 pttt -77.92 -7.82 57.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.103 0.478 . . . . 0.0 110.368 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 m -105.16 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.226 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 85' ' ' VAL . 87.1 t -71.97 130.83 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 175.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -144.89 160.01 41.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -71.68 157.74 37.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.517 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -83.74 59.48 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.505 0.669 . . . . 0.0 110.697 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -83.72 -5.83 59.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.557 0.694 . . . . 0.0 109.564 173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.457 ' CG ' ' HD1' ' A' ' 99' ' ' HIS . 7.6 t70 -80.71 -25.51 38.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.658 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.33 33.49 16.42 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.948 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -152.91 118.65 5.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -171.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.03 -44.46 96.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.709 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.642 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.9 t-160 -78.78 -29.17 44.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.411 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -61.6 -54.08 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -66.34 -29.49 69.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.707 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 57.0 mtp180 -67.7 -45.29 75.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.408 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.75 -44.89 96.82 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.768 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -65.77 -46.29 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.692 0.282 . . . . 0.0 110.74 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -63.5 -41.95 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.158 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.69 -44.88 96.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.897 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -74.35 -47.67 32.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.237 -173.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -68.75 -11.89 60.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.615 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -77.5 -26.73 51.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.016 0.436 . . . . 0.0 110.382 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -117.17 -27.54 6.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -139.74 66.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.523 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.3 tp -81.47 -26.72 35.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.977 0.418 . . . . 0.0 110.61 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.0 m -66.35 -36.53 83.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.1 tp -66.96 -35.17 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.41 HG23 ' C9 ' ' A' ' 201' ' ' ACD . 82.7 mt -66.08 -45.19 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.247 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.32 -36.08 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.013 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.34 59.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.121 -177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.476 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 94.1 p -65.37 -29.72 70.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.507 -176.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.2 pt -98.46 6.63 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.975 0.417 . . . . 0.0 111.192 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -73.97 121.46 21.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.103 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.402 ' HG2' ' OE2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -89.34 146.35 24.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.417 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.185 -179.027 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.453 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.537 0.208 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -66.12 125.2 24.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.94 0.4 . . . . 0.0 111.188 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -88.36 123.56 33.06 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.974 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.94 132.79 56.37 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.908 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -91.66 148.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.131 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 p -67.54 95.14 0.45 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.693 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.4 p -81.59 -178.19 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.314 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -54.61 -37.69 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.264 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.52 -46.66 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.979 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.69 -39.88 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 109.697 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.69 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 65.7 tp -60.95 -45.07 96.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -61.1 -31.9 71.58 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 0.0 110.636 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -65.63 -44.27 86.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.379 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -69.77 -37.37 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.69 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 47.5 mtm180 -62.56 -33.87 75.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.694 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -67.19 -41.45 85.84 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.662 0.267 . . . . 0.0 110.879 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.74 -35.84 81.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.3 m -72.85 -34.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.788 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.71 -53.48 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -65.94 -19.71 65.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.513 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 t -90.26 -47.61 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.23 14.43 9.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 55.54 39.15 30.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.493 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.0 mm -73.45 119.93 78.44 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.736 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.86 145.87 94.78 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.829 2.353 . . . . 0.0 111.923 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.53 -32.0 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.513 -177.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -52.07 -49.89 62.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.504 0.502 . . . . 0.0 110.702 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.17 -42.02 89.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.249 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.43 -38.36 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.474 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.0 mt-10 -62.97 -38.26 90.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.123 0.487 . . . . 0.0 110.298 175.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.06 -45.97 83.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.158 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.455 ' HB3' ' O1 ' ' A' ' 201' ' ' ACD . 16.5 m-85 -59.22 -33.53 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.97 -16.47 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -115.5 24.23 11.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.544 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 48.44 48.34 19.33 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.868 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.89 109.78 15.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.403 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -115.32 98.7 51.17 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.734 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.83 141.33 95.78 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.624 2.216 . . . . 0.0 112.508 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -89.12 79.73 7.12 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.559 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.581 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.9 OUTLIER -155.51 160.78 40.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.627 178.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -51.14 -36.51 41.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -172.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -56.08 -59.88 4.29 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.667 0.27 . . . . 0.0 111.347 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.4 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -66.71 -47.55 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.57 -174.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.06 -30.58 69.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.777 0.322 . . . . 0.0 110.203 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 33.8 t80 -60.44 -50.58 73.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.32 -40.18 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -60.34 -51.97 67.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 110.156 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.16 -48.62 79.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.611 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.59 -43.21 98.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.53 -27.78 68.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.554 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.05 -35.01 43.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.276 0.56 . . . . 0.0 110.068 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.61 -37.42 83.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.7 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.407 ' SD ' HD13 ' A' ' 11' ' ' LEU . 98.0 mtp -85.49 1.84 47.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.255 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 60.91 54.06 3.58 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.494 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 mt -127.23 -19.4 4.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.568 -173.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -141.96 138.52 32.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 28.5 t70 -119.76 137.03 54.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.442 178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.4 -20.74 60.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.621 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.434 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 57.7 m -99.28 -65.76 0.94 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -76.26 -7.89 55.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.93 -152.81 35.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.918 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 121.33 9.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.074 2.516 . . . . 0.0 111.817 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -83.07 91.03 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.4 t -48.52 -44.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.621 -175.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.21 -54.69 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.664 0.269 . . . . 0.0 111.424 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.94 -33.05 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.06 -51.02 71.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.24 -38.9 80.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -61.0 -32.19 71.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -90.66 -57.65 2.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.988 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.713 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 91.9 mt -59.8 -42.54 93.67 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -174.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.25 34.6 0.09 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.133 0.492 . . . . 0.0 111.901 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 72' ' ' LEU . 68.8 t60 -66.35 85.77 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 29.09 23.83 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -149.25 166.46 28.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.681 0.241 . . . . 0.0 111.351 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.557 ' O ' HG22 ' A' ' 81' ' ' VAL . 18.3 m-20 -55.49 110.37 0.69 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.405 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.17 83.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.846 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.7 -46.5 87.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.913 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.92 -45.83 89.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.192 176.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 77' ' ' ASP . 91.9 t -59.36 -48.29 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.562 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -56.24 -44.47 79.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -60.63 -53.46 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.056 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -55.5 -42.99 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.567 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' HG21 ' A' ' 89' ' ' VAL . 37.3 t -57.59 -51.43 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.816 0.341 . . . . 0.0 111.002 176.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.44 -30.34 70.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.44 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -74.23 -4.25 34.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.803 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 m -119.96 -9.13 9.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.261 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 85' ' ' VAL . 69.4 t -75.1 123.2 30.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.954 0.406 . . . . 0.0 110.839 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -114.41 178.54 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.939 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -100.68 155.36 17.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.31 173.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.461 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 59.6 t30 -78.6 71.05 5.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 110.703 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.5 p -90.22 -9.04 49.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.046 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.06 -18.8 45.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.902 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 61.36 23.9 14.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.472 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -146.67 107.85 4.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.441 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.98 -41.13 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.815 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -77.4 -31.08 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.4 t90 -62.6 -53.48 53.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.366 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.43 84.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.455 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 82.9 t80 -66.39 -35.87 81.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.583 -175.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 103' ' ' ARG . 31.2 ttp180 -72.32 -33.67 67.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.19 91.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.462 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -64.9 -46.97 79.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -63.38 -42.61 98.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.054 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.8 t -60.95 -45.66 93.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 110.885 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 28.4 t80 -70.41 -50.0 43.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.002 -173.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.69 -26.75 68.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 111.347 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -66.86 -23.1 65.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.048 0.451 . . . . 0.0 110.734 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -112.84 -35.96 5.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -136.61 73.65 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.969 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 tp -87.09 -32.45 19.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.752 0.311 . . . . 0.0 111.174 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -34.66 78.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.53 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.39 -38.54 91.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.983 0.42 . . . . 0.0 110.053 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.54 -42.29 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.316 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -37.91 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.586 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.27 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.713 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 17.2 m -61.52 -32.42 72.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.884 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.38 7.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 111.268 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -87.04 133.27 33.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.937 0.398 . . . . 0.0 111.077 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -67.44 124.34 22.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.451 ' HB2' ' HE2' ' A' ' 74' ' ' HIS . 25.2 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.531 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.49 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.774 0.321 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -116.59 113.81 23.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.461 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -88.78 126.92 35.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.95 130.91 55.47 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.851 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.96 155.86 3.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 p -85.8 91.77 8.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.938 -175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.8 p -76.83 -173.1 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.87 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.504 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 3.3 m -56.62 -40.0 74.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.52 -50.7 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.795 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.81 -39.72 85.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.84 -40.83 98.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.386 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 8' ' ' THR . 43.0 mt-30 -69.44 -27.01 64.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.2 ttm180 -65.84 -58.01 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.469 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -60.93 -35.6 77.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 111.305 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.2 OUTLIER -63.15 -39.49 94.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.702 -175.546 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 m -64.79 -43.71 92.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.349 . . . . 0.0 110.572 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 3.2 mm-40 -61.02 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.347 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.15 -32.82 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.3 -52.9 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.2 m -64.47 -31.09 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.0 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.5 m -79.87 -45.19 19.11 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.01 9.68 24.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 t30 55.37 35.72 25.59 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.131 0.491 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.64 121.74 72.31 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.469 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -60.51 139.67 87.43 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.789 2.326 . . . . 0.0 111.468 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.537 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.91 -34.27 65.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.483 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.83 -49.92 67.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.227 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -61.21 -38.97 88.51 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.537 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.75 -44.5 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.077 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -64.58 -32.77 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.989 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -62.12 -52.81 62.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.425 ' CE1' HG21 ' A' ' 43' ' ' THR . 9.3 m-85 -59.97 -33.51 72.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.481 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -62.32 -26.54 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.751 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -107.54 32.75 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.3 m95 50.63 41.93 26.4 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -126.15 113.15 16.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.293 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -116.59 102.93 53.13 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.592 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.51 145.62 97.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.416 2.077 . . . . 0.0 112.385 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -81.45 81.38 7.59 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.271 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.547 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -148.74 146.16 27.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.985 -173.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -44.45 -47.96 9.94 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.749 0.656 . . . . 0.0 112.506 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 m -53.99 -52.93 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.564 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.425 HG21 ' CE1' ' A' ' 32' ' ' PHE . 25.1 m -60.89 -34.02 74.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.205 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.547 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 62.5 mtt -67.3 -51.81 48.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.344 -175.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -67.14 -28.52 68.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.099 -0.241 . . . . 0.0 110.82 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.419 ' O ' HG21 ' A' ' 50' ' ' VAL . 34.8 t80 -61.42 -51.7 67.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.838 0.351 . . . . 0.0 110.058 175.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.49 -38.93 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.594 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -60.44 -53.09 61.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.379 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.626 ' SG ' ' HE2' ' A' ' 53' ' ' LYS . 16.2 t -57.01 -46.98 81.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.546 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 46' ' ' TYR . 73.1 t -62.26 -48.02 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.744 -178.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.67 -24.62 67.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.902 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.22 -40.14 27.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.626 ' HE2' ' SG ' ' A' ' 49' ' ' CYS . 65.1 mttm -74.71 -26.04 59.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 77.6 mtp -82.87 -0.2 47.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.805 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 57.08 50.82 11.31 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -122.92 -17.52 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.037 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -139.46 135.16 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.843 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -118.18 144.23 45.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.91 -20.87 65.14 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.5 m -99.11 -64.16 1.06 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.509 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.76 -16.44 60.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.84 -148.57 22.65 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.23 -0.985 . . . . 0.0 112.324 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.35 121.18 9.07 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.05 2.5 . . . . 0.0 111.693 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -81.38 95.82 7.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' HG21 ' A' ' 69' ' ' VAL . 96.9 t -51.17 -44.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.523 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.79 -49.54 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.325 . . . . 0.0 111.437 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -63.39 -34.57 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.167 0.508 . . . . 0.0 110.163 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.4 mt -65.24 -44.44 88.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.47 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 65' ' ' VAL . 99.1 t -68.22 -42.57 84.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.907 0.384 . . . . 0.0 110.295 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.93 -26.73 67.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.324 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -91.16 -60.71 1.83 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.023 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' C ' ' H ' ' A' ' 74' ' ' HIS . 96.8 mt -67.03 -41.22 86.93 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -171.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.94 34.0 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.474 ' H ' ' C ' ' A' ' 72' ' ' LEU . 26.9 t-80 -75.45 84.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.26 29.38 6.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.734 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.467 ' NH1' HD21 ' A' ' 115' ' ' LEU . 18.8 mtp180 -152.51 168.03 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.597 0.198 . . . . 0.0 110.661 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 81' ' ' VAL . 26.3 m-20 -64.16 106.27 1.04 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.089 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.14 -39.97 95.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.681 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.62 -43.16 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.109 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 77' ' ' ASP . 90.4 t -57.11 -43.7 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.07 -43.66 70.49 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -62.5 -54.75 35.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.283 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -42.7 78.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.479 ' O ' HG21 ' A' ' 89' ' ' VAL . 37.4 t -59.15 -50.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.04 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.52 -31.83 64.5 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.747 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.91 -7.02 53.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.004 0.43 . . . . 0.0 110.939 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.0 m -113.23 -11.59 13.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.566 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 85' ' ' VAL . 89.1 t -71.42 103.57 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 109.92 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.04 176.98 4.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.106 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.03 152.08 20.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.868 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -77.34 64.24 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -76.02 -19.98 58.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -83.41 -13.0 55.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 58.66 29.05 18.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.51 126.68 13.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.239 -178.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.84 -35.51 78.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.713 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.23 -41.24 98.23 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.185 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -71.42 -30.95 66.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.6 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -70.31 -52.09 25.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.721 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.59 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 87.2 t80 -64.28 -33.11 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.87 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -70.47 -36.55 73.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.301 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.37 90.45 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.33 -45.32 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -63.24 -38.64 91.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.453 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.6 t -65.52 -43.67 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.501 . . . . 0.0 111.134 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.437 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 33.8 t80 -76.62 -47.28 22.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.373 -172.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.0 -24.86 66.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.571 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -66.26 -26.01 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.938 0.399 . . . . 0.0 110.526 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -116.95 -24.7 7.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.304 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -139.74 61.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -80.99 -34.22 33.13 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.478 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 m -62.79 -34.38 77.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.089 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.467 HD21 ' NH1' ' A' ' 76' ' ' ARG . 62.3 tp -68.08 -35.57 78.4 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.59 177.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 80.7 mt -65.94 -39.66 85.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 110.333 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.71 -46.38 79.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.717 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.74 74.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.1 t -54.5 -47.46 73.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.483 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.38 -0.08 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.508 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -84.97 119.2 25.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.0 0.428 . . . . 0.0 110.971 -175.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -155.96 135.85 12.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.569 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.134 177.555 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.461 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.895 0.378 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -88.35 121.64 30.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.896 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -66.52 124.71 23.56 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.269 0.557 . . . . 0.0 110.522 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.34 113.22 25.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.558 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.414 ' HB ' HE22 ' A' ' 71' ' ' GLN . 0.9 OUTLIER -85.67 148.38 4.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.42 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -92.45 105.87 17.97 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.027 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -79.35 177.12 9.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.518 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.0 m -53.13 -47.11 68.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.603 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.84 -41.18 99.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -63.4 -39.29 94.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.072 0.463 . . . . 0.0 109.774 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -64.61 -37.19 86.7 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.943 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -70.72 -24.04 62.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.271 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -70.07 -52.77 21.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.98 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -62.75 -38.97 92.64 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.851 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.65 HH21 ' C1 ' ' A' ' 201' ' ' ACD . 5.0 ttm180 -59.06 -43.09 91.69 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.044 0.449 . . . . 0.0 110.035 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.0 m -61.71 -51.33 68.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -40.53 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -176.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -65.27 -33.93 77.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.559 0.219 . . . . 0.0 110.911 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -65.8 -54.18 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -65.5 -22.02 66.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.603 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 t -87.87 -48.19 8.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.6 11.42 8.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m120 57.33 32.92 22.54 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.406 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.64 120.68 67.87 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.651 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.55 140.44 93.95 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.796 2.33 . . . . 0.0 111.958 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.61 58.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.94 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -57.11 -49.27 76.42 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.464 0.477 . . . . 0.0 111.145 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -61.01 -35.78 77.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.73 -43.26 87.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.204 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.52 -36.11 77.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 110.648 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.02 -53.62 50.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 178.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -59.89 -32.0 70.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.874 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.25 -30.18 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.525 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -104.19 16.89 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.5 m95 56.28 44.4 24.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -109.75 109.37 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.518 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -115.83 97.58 49.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.569 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -64.3 146.4 90.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.544 2.163 . . . . 0.0 111.928 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.39 80.94 3.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.452 0.644 . . . . 0.0 109.461 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.665 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -141.96 150.24 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.161 -177.445 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.49 -42.31 67.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.222 0.326 . . . . 0.0 111.789 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.3 m -57.03 -56.59 19.77 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.467 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.3 m -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.665 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.3 mtt -65.38 -49.72 68.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.297 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.5 m -66.78 -29.91 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.729 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.21 -47.48 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.333 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.97 -38.47 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.633 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -59.7 -52.16 66.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -58.96 -47.29 85.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.06 -48.81 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.385 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.3 m-30 -62.69 -29.05 70.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 110.854 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -78.85 -38.33 38.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.264 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -70.07 -27.4 64.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.646 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.6 mtp -87.49 2.59 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.55 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 54.92 35.56 24.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.945 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -106.61 -15.66 14.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.522 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.2 t80 -136.86 134.31 36.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.492 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -113.08 142.78 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.834 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -66.68 -19.48 65.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.841 -174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -109.22 -56.76 2.25 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.604 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.9 -15.42 57.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.644 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.49 -149.8 27.76 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.206 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.76 123.57 13.55 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.956 2.437 . . . . 0.0 111.885 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.6 93.0 8.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -54.03 -35.68 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.016 -174.762 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.24 -56.36 22.52 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.902 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -59.79 -37.39 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.182 0.515 . . . . 0.0 110.297 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD23 H162 ' A' ' 201' ' ' ACD . 18.2 mt -63.04 -45.9 90.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.806 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 65' ' ' VAL . 89.6 t -68.92 -41.97 82.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.889 0.376 . . . . 0.0 110.684 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.6 -24.98 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.263 0.554 . . . . 0.0 110.534 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.467 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 29.2 tp60 -90.0 -59.93 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.135 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 74' ' ' HIS . 90.0 mt -63.36 -45.82 89.41 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.45 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.83 33.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' A' ' 72' ' ' LEU . 47.2 t-80 -72.43 84.6 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.447 . . . . 0.0 109.863 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.76 26.7 8.89 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.255 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -150.36 166.39 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.935 -0.156 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.419 ' O ' HG23 ' A' ' 81' ' ' VAL . 4.2 m-20 -58.47 105.59 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.374 0.607 . . . . 0.0 111.631 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.83 72.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.814 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.3 -39.11 89.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.986 0.422 . . . . 0.0 111.028 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.95 -46.0 86.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.384 0.611 . . . . 0.0 109.446 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 77' ' ' ASP . 94.3 t -62.2 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.667 179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -53.92 -43.97 70.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.79 0.436 . . . . 0.0 110.74 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -51.94 66.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.44 -44.93 89.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.454 ' O ' HG21 ' A' ' 89' ' ' VAL . 39.6 t -55.98 -50.82 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 CA-C-O 120.802 0.334 . . . . 0.0 111.237 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.5 mt -57.7 -31.93 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.627 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.32 -8.17 55.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.176 0.513 . . . . 0.0 110.745 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 24.4 m -114.15 -11.28 12.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.801 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 85' ' ' VAL . 79.6 t -75.55 102.41 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -122.74 158.66 29.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.624 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -74.94 151.64 38.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -77.74 76.43 4.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.462 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -81.97 -26.32 34.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.898 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.36 -14.91 54.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.675 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 66.76 21.57 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.177 -0.919 . . . . 0.0 113.282 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.88 115.89 22.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.196 0.522 . . . . 0.0 110.09 172.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -32.5 65.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.492 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 76.8 m -64.7 -37.4 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.439 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.415 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 47.4 t-80 -85.53 -20.24 29.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -69.73 -53.19 19.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 110.128 176.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.462 0.648 . . . . 0.0 109.952 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -72.79 -28.65 62.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.574 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -66.27 -46.34 77.38 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.939 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.05 -45.69 93.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.946 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.81 -46.8 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 0.0 111.113 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -66.73 -37.79 85.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.12 -175.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.7 t -64.19 -42.82 96.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.34 -48.14 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.94 -20.44 65.22 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.05 0.452 . . . . 0.0 111.059 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -60.36 -36.72 78.67 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.453 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.83 -31.7 6.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.713 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -133.04 70.46 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.186 -173.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -84.77 -36.3 21.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.639 0.257 . . . . 0.0 111.412 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.7 m -62.65 -34.54 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.948 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.59 -33.75 76.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.17 -41.79 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -69.77 -37.9 76.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.826 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.89 67.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.452 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.467 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.0 t -56.5 -45.28 81.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.545 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 27.4 pt -85.83 -2.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -83.56 119.32 24.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.013 0.435 . . . . 0.0 110.702 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -147.11 97.06 2.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.821 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.628 178.257 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.65 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.245 0.545 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -112.93 57.26 0.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -75.24 121.73 22.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.286 -175.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.94 131.34 52.31 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.963 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.65 147.0 5.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.439 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -75.79 98.8 4.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.823 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.8 p -86.37 -170.25 3.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.816 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 69.5 m -59.57 -46.6 88.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.118 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.47 -44.29 84.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.41 -47.6 81.32 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.094 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.569 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.9 tp -57.79 -36.83 72.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.074 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 8' ' ' THR . 57.2 mt-30 -58.16 -40.73 82.16 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.951 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 51.3 ttt180 -66.11 -46.12 78.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 177.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -62.24 -33.44 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.026 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 17.2 mtt180 -60.03 -53.32 59.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -52.59 -52.02 57.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.466 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.8 mt-10 -64.23 -31.6 72.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.838 -176.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 97.8 m -76.52 -32.86 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.773 175.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.17 -51.52 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 p -65.84 -31.54 72.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.718 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -76.39 -50.02 15.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.4 mt -82.83 4.52 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 111.805 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t30 56.44 41.35 28.95 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.18 125.06 89.53 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.471 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -64.37 143.64 83.33 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.779 2.319 . . . . 0.0 111.49 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.49 -31.81 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.401 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.17 -54.26 32.96 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.5 m-85 -61.9 -36.96 82.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.24 -44.43 87.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.802 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.3 mt-10 -61.3 -35.59 77.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.21 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -69.94 -45.74 66.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.245 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.568 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 17.7 m-85 -58.03 -41.54 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.964 0.411 . . . . 0.0 111.375 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -63.52 -27.46 69.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.374 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -96.72 21.97 8.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.438 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 99.4 m95 53.21 44.74 29.81 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.024 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.58 114.22 18.45 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.84 93.67 46.78 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -173.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.5 147.43 86.31 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.625 2.217 . . . . 0.0 113.131 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.54 84.51 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.191 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 44' ' ' MET . 21.2 t70 -157.36 147.2 20.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.71 -31.31 47.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.342 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.9 m -57.25 -57.88 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.148 0.499 . . . . 0.0 110.634 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.3 m -59.39 -36.36 75.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.413 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 61.2 mtt -63.34 -52.1 63.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.359 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.402 ' CA ' ' HB3' ' A' ' 98' ' ' CYS . 0.7 OUTLIER -75.58 -23.13 56.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.516 -177.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.647 ' HH ' ' C1 ' ' A' ' 201' ' ' ACD . 32.2 t80 -58.6 -46.43 87.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.18 -40.03 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.886 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -61.96 -48.92 78.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 t -57.53 -48.33 79.58 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.376 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.33 -47.44 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 121.049 0.452 . . . . 0.0 111.216 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.421 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -64.23 -27.86 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.07 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.07 -37.31 46.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.893 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 24.2 mtpp -71.46 -27.54 63.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -87.92 1.34 54.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.079 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 56.23 49.87 14.52 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mt -121.33 -19.84 6.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.872 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.421 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 68.9 t80 -137.07 132.12 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.106 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.33 135.4 45.04 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.02 -19.63 65.92 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 111.303 -172.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.7 m -100.16 -59.44 1.71 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.985 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -82.11 -17.53 46.12 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.46 -154.55 21.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.224 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -59.87 122.34 11.26 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.085 2.523 . . . . 0.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 mt -86.26 89.53 7.88 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 69' ' ' VAL . 79.2 t -51.06 -41.98 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.727 -173.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.84 -51.77 68.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.201 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.43 -34.73 78.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.463 . . . . 0.0 110.389 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD21 H162 ' A' ' 201' ' ' ACD . 17.5 mt -60.57 -47.51 85.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.24 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 65' ' ' VAL . 95.7 t -65.8 -41.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.309 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.72 -30.72 69.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.083 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.259 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 74' ' ' HIS . 93.9 mt -64.52 -42.45 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.95 32.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' A' ' 72' ' ' LEU . 50.4 t-80 -68.3 89.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.876 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 30.46 13.45 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.205 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -146.94 178.15 8.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 111.547 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.74 107.83 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.24 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.364 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.37 -47.69 84.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.2 tt0 -63.1 -49.26 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.3 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.72 -46.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -54.54 -44.81 73.17 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.759 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.1 m -62.13 -53.1 60.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.189 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.6 mt-10 -59.52 -35.98 75.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.713 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.38 -51.01 73.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.601 0.239 . . . . 0.0 111.173 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.47 -32.62 67.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.66 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.83 -8.54 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.06 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.6 m -114.56 -7.64 12.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.173 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.27 108.66 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.335 0.588 . . . . 0.0 110.138 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.89 172.11 7.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.342 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -100.98 163.43 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.013 0.435 . . . . 0.0 110.862 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.533 ' HB2' ' CD2' ' A' ' 100' ' ' TRP . 58.5 t30 -85.36 64.09 8.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.606 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.9 p -74.34 -20.27 60.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.6 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.4 -11.07 56.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.117 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.34 25.53 10.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.506 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.7 114.61 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.33 70.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.402 ' HB3' ' CA ' ' A' ' 45' ' ' CYS . 39.5 m -62.13 -40.26 95.32 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.115 0.483 . . . . 0.0 110.226 177.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -80.88 -26.81 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.745 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.533 ' CD2' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -63.31 -56.81 13.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.666 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.78 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.729 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.555 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 71.8 t80 -66.02 -34.0 77.09 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.072 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -68.23 -39.31 82.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.65 0.262 . . . . 0.0 110.496 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.454 ' O ' H192 ' A' ' 201' ' ' ACD . . . -63.06 -46.49 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.527 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -65.87 -48.3 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -60.85 -42.9 98.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.421 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.69 -42.93 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.169 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -74.18 -46.78 39.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.66 -9.82 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -64.5 -36.53 84.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.997 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.29 -14.88 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -126.13 51.74 1.76 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.9 tp -83.5 -28.17 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.609 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 t -66.29 -32.23 73.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.1 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.94 -34.35 75.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.142 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.66 -40.83 87.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.207 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.34 -34.71 78.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.516 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.06 -31.26 62.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.423 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.8 t -59.06 -41.3 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.669 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.9 pt -92.72 0.82 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.135 0.493 . . . . 0.0 111.137 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -91.27 130.61 37.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.873 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -84.38 134.67 34.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.853 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.577 -178.264 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.647 ' C1 ' ' HH ' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.084 0.468 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.57 128.78 54.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.58 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -76.42 124.98 28.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.938 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 129.54 56.03 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.903 177.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.82 144.66 9.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -90.33 105.62 17.94 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.35 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.9 p -81.81 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.881 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m -58.32 -41.56 84.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.921 0.391 . . . . 0.0 110.924 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.29 -44.53 96.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.041 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -64.96 -40.53 95.13 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.044 0.449 . . . . 0.0 109.97 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.7 tp -58.68 -43.58 90.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.52 -175.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.13 -31.14 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 -175.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -70.45 -40.67 73.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.341 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.64 -37.4 82.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.619 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 25.3 mtm180 -64.95 -39.1 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.5 m -66.56 -45.76 78.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -54.82 -40.44 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.528 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.96 -31.64 50.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.579 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.49 -52.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 0.0 110.516 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -66.63 -31.86 72.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.43 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 t -75.28 -48.6 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.714 0.292 . . . . 0.0 110.973 -176.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 54.6 39.98 31.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.244 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.55 122.28 81.13 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.69 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.63 143.04 91.87 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.827 2.351 . . . . 0.0 111.271 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.01 -32.68 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.202 -177.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.73 -55.26 14.57 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.701 0.626 . . . . 0.0 111.128 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.13 -36.93 85.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.694 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.41 -42.14 86.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.659 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.4 mt-10 -58.44 -35.61 72.39 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 110.469 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -67.31 -48.8 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.685 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -60.66 -31.85 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.949 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HA ' HH22 ' A' ' 15' ' ' ARG . 34.9 tttm -71.19 -10.06 59.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -119.72 21.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 57.68 44.95 19.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.227 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -119.05 116.02 25.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.007 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.86 84.7 49.98 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.08 148.53 88.93 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.46 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -73.46 90.02 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.977 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.562 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.6 t70 -154.98 145.98 22.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.087 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.95 -25.56 66.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.746 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -62.64 -57.85 9.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.9 m -55.77 -35.78 66.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.26 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.565 ' HG2' ' CG ' ' A' ' 102' ' ' PHE . 66.2 mtt -65.35 -51.16 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.41 -176.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 85.5 m -64.29 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -62.49 -41.45 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.023 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.621 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.0 OUTLIER -63.25 -45.68 90.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.424 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -57.36 -47.73 80.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.132 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.27 -46.74 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.267 0.556 . . . . 0.0 110.856 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.424 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 4.0 m-30 -65.29 -25.18 67.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.725 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -79.86 -37.83 34.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.845 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -69.38 -27.66 65.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.3 mtp -91.51 5.62 48.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.516 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 55.98 46.96 20.88 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.254 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.49 -18.15 6.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.222 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 78.4 t80 -140.27 139.44 35.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.577 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -118.67 140.83 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.04 -10.12 59.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.886 0.374 . . . . 0.0 111.669 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m -110.51 -57.21 2.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.156 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.55 -8.63 59.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.016 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.56 -154.98 36.93 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.638 -0.792 . . . . 0.0 113.067 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.77 121.99 10.88 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.093 2.529 . . . . 0.0 111.837 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -83.3 90.27 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.121 0.486 . . . . 0.0 109.743 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 t -50.24 -44.92 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.574 -173.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.08 -55.26 37.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.5 0.191 . . . . 0.0 111.364 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.7 -35.12 77.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 65' ' ' VAL . 87.5 t -70.53 -44.73 76.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -62.29 -24.82 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 111.512 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -89.83 -60.26 1.98 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.041 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 74' ' ' HIS . 95.9 mt -63.77 -46.11 86.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.265 -175.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.76 34.06 0.1 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.424 ' H ' ' C ' ' A' ' 72' ' ' LEU . 48.9 t-80 -69.98 84.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.36 37.7 5.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.859 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -154.66 165.12 37.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.535 0.207 . . . . 0.0 110.816 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.32 107.92 1.0 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.658 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.18 71.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.975 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.11 -39.22 89.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -48.51 71.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.52 -48.09 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.845 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -53.04 -40.41 63.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.3 m -65.01 -55.51 18.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.715 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.3 -27.62 69.45 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.51 -50.2 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.856 0.36 . . . . 0.0 110.587 171.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.5 mt -58.09 -31.0 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.778 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.14 -19.35 65.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.189 0.518 . . . . 0.0 110.687 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -104.59 -9.48 18.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.966 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -77.45 105.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.124 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -103.57 170.46 7.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.229 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -90.82 153.35 20.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.536 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -79.23 64.71 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.1 p -80.73 -15.67 55.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.303 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.35 -24.25 50.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.7 t30 59.35 32.96 22.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.049 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -149.65 117.55 6.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.681 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.15 77.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.078 -174.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.621 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 66.1 m -62.55 -46.92 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.741 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -76.15 -28.74 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.034 0.445 . . . . 0.0 110.273 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -66.71 -56.24 11.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.62 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.84 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.306 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 79.7 t80 -65.32 -35.3 80.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.251 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 103' ' ' ARG . 38.3 ttp180 -74.58 -32.51 62.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.99 -44.66 97.05 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.239 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -68.03 -48.21 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.604 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -56.4 -50.1 72.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.386 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -56.48 -45.01 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -74.9 -45.92 39.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.093 -174.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -67.69 -16.8 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.369 . . . . 0.0 111.274 -178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.25 -30.04 70.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.809 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -121.62 -24.91 5.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.1 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.417 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.5 m-20 -134.36 60.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 111.591 -172.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.6 -31.07 22.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.863 0.363 . . . . 0.0 110.713 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -63.85 -33.2 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.6 tp -68.51 -36.58 79.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.156 0.503 . . . . 0.0 109.993 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 112' ' ' ASN . 60.8 mt -64.5 -44.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.48 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.4 -33.34 48.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.202 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.424 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 90.2 p -64.0 -32.66 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 34.9 pt -91.09 0.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.481 . . . . 0.0 110.754 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -90.76 121.97 33.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -133.56 127.7 33.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.984 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.193 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.619 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.633 0.254 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.44 131.86 54.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.73 0.3 . . . . 0.0 110.703 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -86.85 97.92 10.92 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.482 0.658 . . . . 0.0 109.611 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.6 109.28 3.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.55 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.13 149.58 13.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p -76.97 102.2 6.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -75.17 173.59 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.293 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.4 m -53.01 -47.39 68.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.663 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.24 -50.53 71.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.614 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -60.01 -41.16 91.52 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.133 0.492 . . . . 0.0 109.839 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 60.1 tp -63.93 -38.76 92.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.025 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.18 -33.12 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.355 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.622 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 79.7 ttt180 -61.76 -60.66 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.411 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -60.35 -37.55 81.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.539 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.495 HH11 ' C1 ' ' A' ' 201' ' ' ACD . 0.8 OUTLIER -64.09 -40.7 96.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.181 -177.198 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -68.58 -43.06 77.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.1 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 27.6 mm-40 -54.98 -49.78 70.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.317 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.9 -54.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -69.22 -18.36 63.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.611 -176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 m -88.95 -47.9 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.286 -0.258 . . . . 0.0 111.042 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.52 10.9 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m120 55.97 38.12 29.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.2 mm -70.66 120.57 79.77 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.12 140.14 93.7 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.685 2.257 . . . . 0.0 111.999 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.72 -31.57 62.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.565 -177.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.4 m-20 -53.12 -51.02 63.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.224 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 29.6 m-85 -60.33 -40.25 89.98 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.094 177.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.99 -45.89 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.482 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -61.06 -37.16 81.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.309 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 92.7 mttt -64.42 -43.35 94.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.795 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 16.3 m-85 -60.04 -32.69 71.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -66.84 -22.61 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.254 0.549 . . . . 0.0 110.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -100.95 17.32 22.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.964 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.4 m95 54.1 39.85 31.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.799 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -113.0 109.6 19.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.045 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -115.72 90.81 27.94 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.135 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -54.74 140.03 77.29 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.333 2.022 . . . . 0.0 112.136 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.28 85.77 1.43 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.185 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -150.68 145.18 25.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.703 -177.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.54 -35.39 53.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.408 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -59.84 -51.68 68.67 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.063 0.459 . . . . 0.0 110.729 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -61.72 -33.05 73.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.837 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 63.0 mtt -69.94 -49.79 48.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.5 -174.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.45 -30.43 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.307 . . . . 0.0 110.289 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.18 -51.29 69.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -59.16 -37.77 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.828 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.63 -50.21 73.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.46 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -59.37 -47.65 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.407 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.56 -50.38 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.209 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -65.07 -25.83 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.875 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -78.73 -39.52 36.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.29 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -75.33 -20.1 59.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.184 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 80.5 mtp -89.33 6.04 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 176.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 55.83 44.23 26.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.432 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.7 mt -122.34 -18.54 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.188 -175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 101' ' ' ALA . 71.7 t80 -143.7 142.44 30.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.753 178.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.589 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 31.3 t70 -130.27 143.71 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.41 -12.24 60.02 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.134 0.492 . . . . 0.0 110.884 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.589 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 38.8 m -97.13 -62.2 1.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.227 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.3 -18.31 52.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.92 -155.86 28.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.468 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.7 122.41 11.6 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 123.021 2.481 . . . . 0.0 111.484 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.84 85.72 6.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 94.3 t -48.1 -44.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.494 -173.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -58.9 -53.56 56.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.749 0.309 . . . . 0.0 111.327 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.87 -32.38 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.559 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD22 H162 ' A' ' 201' ' ' ACD . 18.5 mt -62.04 -45.83 91.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.49 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.77 -41.73 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -53.94 -37.97 64.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.338 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.448 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 61.6 tp60 -86.93 -59.13 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.639 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.456 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 96.0 mt -65.21 -46.74 79.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.76 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.434 ' H ' ' C ' ' A' ' 72' ' ' LEU . 50.5 t-80 -69.45 92.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.065 0.459 . . . . 0.0 110.121 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.12 26.35 19.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.954 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -145.19 161.41 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.585 0.231 . . . . 0.0 110.421 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.87 109.69 0.77 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.839 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.92 80.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.727 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.05 -37.8 88.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 111.493 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 1.8 mp0 -61.88 -49.8 74.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.333 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.08 -46.26 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.955 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -52.19 -44.7 64.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.4 m -61.86 -52.33 64.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.985 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 31.1 mt-10 -57.24 -41.85 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.298 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.483 ' O ' HG22 ' A' ' 89' ' ' VAL . 33.4 t -58.68 -49.89 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.071 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.29 -28.08 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.6 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.85 -6.82 52.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.245 0.545 . . . . 0.0 110.815 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.8 m -113.35 -11.09 13.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.293 177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 85' ' ' VAL . 99.2 t -79.58 132.93 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.952 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -152.52 174.47 13.87 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -89.8 151.76 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.783 0.325 . . . . 0.0 110.783 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.447 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 56.5 t30 -77.06 72.03 3.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.45 0.643 . . . . 0.0 110.795 -177.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 p -80.97 -14.87 57.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.343 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -81.87 -17.17 48.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 66.01 19.63 11.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.516 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.32 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.9 70.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.849 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.23 -41.93 97.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.704 0.287 . . . . 0.0 110.287 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.672 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 32.3 t-80 -77.33 -29.81 53.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.447 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 8.8 t90 -60.38 -56.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' HB3' ' CE2' ' A' ' 57' ' ' PHE . . . -62.5 -37.12 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.452 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 71.7 t80 -66.34 -32.11 73.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.136 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.672 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 41.2 mtm180 -67.59 -45.89 74.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.44 96.11 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.755 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -66.58 -46.69 75.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.863 0.363 . . . . 0.0 111.056 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -69.24 -37.11 77.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.239 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.456 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 37.9 t80 -76.46 -50.2 14.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.94 -22.77 65.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.39 -34.18 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -129.53 64.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.425 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -86.2 -30.84 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.183 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -65.88 -35.25 80.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.1 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.331 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.25 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.27 -46.39 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.589 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.72 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.681 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.448 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.7 t -59.16 -45.63 90.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.554 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -86.68 0.03 6.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.119 0.485 . . . . 0.0 111.208 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -90.63 125.29 35.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.325 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.37 93.92 2.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.458 0.647 . . . . 0.0 109.965 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.301 -177.806 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.495 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.813 0.339 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -101.94 138.24 39.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.048 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.63 135.56 34.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.884 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 130.59 54.98 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.212 0.53 . . . . 0.0 111.274 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 m -101.58 149.64 6.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.942 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -73.55 92.82 1.95 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.544 -176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -80.91 -172.71 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.607 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 13.7 m -59.61 -39.12 83.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.0 -53.99 50.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.38 -39.57 93.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 66.0 tp -60.5 -35.0 74.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.35 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 8' ' ' THR . 26.6 mm-40 -66.32 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 0.0 110.673 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -63.29 -55.85 21.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.659 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -63.55 -37.16 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.142 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.517 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.8 OUTLIER -66.6 -38.02 86.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.766 -178.39 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -65.72 -48.39 72.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -50.02 50.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.97 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.9 m -68.54 -36.36 78.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.69 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.91 -49.36 80.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.291 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -62.19 -34.77 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.473 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -81.4 -47.77 12.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.38 8.97 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 m120 55.69 34.45 23.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.568 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.8 mm -64.56 120.37 65.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.301 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -62.29 141.98 89.62 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.606 2.204 . . . . 0.0 111.514 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.04 -31.06 60.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.37 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -54.18 -50.42 67.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.252 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.2 m-85 -61.52 -37.97 85.68 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.233 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.29 -42.57 84.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.5 mt-10 -64.08 -32.88 74.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.761 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.98 -51.93 54.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.445 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 11.5 m-85 -59.09 -34.6 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.759 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -62.83 -27.01 69.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.75 11.42 38.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.7 m95 62.01 46.79 6.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.33 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.11 110.42 15.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.199 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -114.92 94.91 39.85 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.206 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -64.28 151.76 84.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.733 2.289 . . . . 0.0 112.59 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -77.27 87.53 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.017 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.6 t70 -151.17 145.78 25.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.939 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.56 -25.35 67.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.691 -173.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -63.22 -56.24 18.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.436 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 m -56.47 -36.77 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.43 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.25 -49.95 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.686 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.96 -30.34 70.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.495 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' O ' HG23 ' A' ' 50' ' ' VAL . 30.7 t80 -59.91 -49.42 77.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 175.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.04 -38.15 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.1 tmmm? -58.39 -56.55 20.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -56.4 -48.2 77.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.699 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 46' ' ' TYR . 76.5 t -61.42 -49.13 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.268 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.423 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -64.24 -28.01 69.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.803 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -77.26 -42.63 36.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.38 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -69.55 -29.41 66.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.773 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.7 mtp -83.52 5.79 22.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.501 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 56.35 41.06 29.52 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.427 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.08 -16.29 10.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.644 -175.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.423 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.8 t80 -145.34 137.33 25.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.474 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 32.0 t70 -124.61 146.08 49.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.286 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.64 -11.24 60.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.745 0.307 . . . . 0.0 111.345 -175.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.474 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 41.8 m -100.23 -65.76 0.95 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.097 176.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -74.19 -16.18 60.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 -145.8 28.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.098 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.67 119.94 7.1 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.503 2.136 . . . . 0.0 111.942 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.27 93.3 5.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.079 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' O ' HG21 ' A' ' 69' ' ' VAL . 72.0 t -51.54 -44.47 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.862 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.85 -52.11 67.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.565 0.221 . . . . 0.0 111.568 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.51 -33.22 73.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.541 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.8 -45.5 94.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.0 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 65' ' ' VAL . 97.8 t -69.83 -41.18 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.958 177.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -63.86 -27.77 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -90.37 -60.13 2.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.737 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 108' ' ' PHE . 90.1 mt -62.67 -44.85 95.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.38 33.41 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.499 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.8 t-80 -74.36 82.81 1.92 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.602 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.0 6.52 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.183 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' NH1' HD21 ' A' ' 115' ' ' LEU . 18.2 mtp180 -153.3 169.58 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.71 117.09 8.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.553 0.692 . . . . 0.0 110.997 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.494 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.66 -44.45 77.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 110.726 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.18 -48.35 78.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.356 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.2 -45.47 80.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.425 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -51.43 -47.55 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -63.39 -48.61 77.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.132 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.38 -43.17 78.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' ' 89' ' ' VAL . 36.3 t -58.82 -50.0 80.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.659 0.266 . . . . 0.0 111.05 176.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.73 -29.43 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.727 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.52 -10.62 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.896 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -112.29 -9.4 13.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 85' ' ' VAL . 94.4 t -79.18 106.83 10.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.95 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.099 0.476 . . . . 0.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -87.72 155.78 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.062 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -81.7 72.4 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.248 0.547 . . . . 0.0 110.73 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.0 p -89.09 -12.27 41.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.378 0.609 . . . . 0.0 109.998 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' HH12 ' A' ' 103' ' ' ARG . 4.1 m-20 -75.69 -26.63 57.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.098 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 61.71 27.21 16.66 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.723 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -147.56 110.06 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.727 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.01 71.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.85 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 64.3 m -62.4 -40.4 96.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.685 0.279 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.26 -28.61 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.29 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -65.34 -55.18 19.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.305 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.42 86.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.415 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 77.4 t80 -66.8 -34.35 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.419 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.428 HH12 ' CG ' ' A' ' 94' ' ' ASP . 38.1 ttp-105 -71.51 -35.88 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.191 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.44 ' O ' H192 ' A' ' 201' ' ' ACD . . . -63.22 -46.35 93.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.496 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -65.9 -46.76 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.915 0.388 . . . . 0.0 110.875 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -65.95 -37.0 84.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.069 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.69 -40.73 98.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.272 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.502 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 36.4 t80 -77.18 -48.88 16.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.572 -173.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -64.81 -23.57 67.28 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 120.717 0.294 . . . . 0.0 111.351 -176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -64.0 -21.88 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.788 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -116.55 -34.88 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.568 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -132.95 70.1 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.278 -170.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.1 tp -88.68 -33.04 17.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.35 . . . . 0.0 111.273 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -62.86 -35.51 80.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 109.902 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.443 HD21 ' NH1' ' A' ' 76' ' ' ARG . 31.5 tp -64.64 -35.83 82.29 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.77 -41.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.071 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.31 -36.38 81.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.714 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.67 45.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.394 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.2 p -70.84 -30.94 67.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.5 pt -97.74 -6.31 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 122' ' ' LYS . 38.9 ttpt -91.1 119.06 30.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.283 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 121' ' ' LYS . 34.2 tttt 69.93 140.41 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.799 0.687 . . . . 0.0 111.164 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.318 -0.763 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.288 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.517 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.563 0.22 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.94 133.6 40.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.106 0.479 . . . . 0.0 111.483 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.71 128.84 34.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.287 174.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.76 118.56 34.59 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.037 0.446 . . . . 0.0 110.137 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.16 142.22 14.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.27 -178.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p -79.37 97.17 6.23 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.932 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.489 HG23 ' OD2' ' A' ' 10' ' ' ASP . 11.7 t -79.64 -177.42 5.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -51.5 -51.68 53.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.67 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.489 ' OD2' HG23 ' A' ' 7' ' ' THR . 9.0 m-20 -58.61 -41.36 85.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.12 -41.91 99.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.948 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.178 0.513 . . . . 0.0 110.39 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.4 ttm180 -64.71 -50.89 65.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.632 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.95 -34.1 77.22 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.937 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.99 -46.62 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.77 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -61.96 -47.8 83.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.666 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.66 -31.3 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -82.8 -35.32 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.15 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -66.5 -53.83 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -68.87 -17.32 63.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.328 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -90.75 -47.85 7.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.045 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -84.28 11.3 8.55 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.91 40.18 29.02 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.268 0.556 . . . . 0.0 110.934 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.7 mm -74.36 120.2 80.25 Favored Pre-proline 0 N--CA 1.452 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.179 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.53 141.68 95.98 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.811 2.341 . . . . 0.0 111.708 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.65 -34.26 61.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.631 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.79 -46.48 84.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -60.58 -38.4 84.49 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.351 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.72 -41.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.276 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.3 mt-10 -67.46 -30.28 69.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -63.68 -49.17 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.283 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.2 -34.64 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.363 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -62.42 -33.7 75.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -89.88 17.63 6.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.194 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.438 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.5 m95 55.24 38.69 30.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.166 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -113.81 110.51 20.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.251 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.7 90.69 32.34 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.526 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.31 143.69 85.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.338 2.026 . . . . 0.0 112.402 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.06 78.32 3.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.815 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.7 t70 -144.18 148.88 35.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.45 -174.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.18 -42.55 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.226 0.329 . . . . 0.0 111.721 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -53.37 -57.23 11.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.307 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 m -60.06 -34.66 73.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.394 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -64.72 -52.15 58.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.435 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -65.86 -29.99 70.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.673 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.526 ' O ' HG11 ' A' ' 50' ' ' VAL . 36.8 t80 -60.46 -51.63 68.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.15 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -57.74 -42.89 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.821 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.61 -45.75 91.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.42 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -60.36 -47.85 84.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.989 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.526 HG11 ' O ' ' A' ' 46' ' ' TYR . 0.9 OUTLIER -71.76 -27.62 28.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.0 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.518 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.0 m-30 -68.37 -27.02 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.36 -43.14 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.681 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 50' ' ' VAL . 58.2 mmtt -62.71 -32.64 73.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.612 -178.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.7 mtp -91.71 0.19 57.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 58.49 48.68 11.71 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.338 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.94 -13.78 7.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.55 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.518 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 82.6 t80 -139.89 141.9 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -123.89 147.2 47.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -65.2 -21.3 66.74 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.4 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.2 m -103.57 -66.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.649 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -69.83 -13.4 62.25 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.73 -145.84 30.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.117 -1.039 . . . . 0.0 111.842 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.29 121.9 10.5 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.681 2.254 . . . . 0.0 111.672 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.11 89.0 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.875 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.407 ' O ' HG22 ' A' ' 69' ' ' VAL . 84.1 t -50.43 -44.36 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.933 -1.031 . . . . 0.0 112.736 -173.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.47 -52.03 66.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.74 -34.27 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.323 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.16 -47.37 86.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.269 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -66.86 -42.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.81 -30.41 68.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.987 0.422 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 108' ' ' PHE . 93.2 mt -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.475 -174.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.22 32.84 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.492 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.1 t-80 -72.64 88.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.745 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.56 20.34 15.35 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.257 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' NH1' HD22 ' A' ' 115' ' ' LEU . 12.3 mtp180 -146.96 169.59 18.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.292 0.568 . . . . 0.0 111.886 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 81' ' ' VAL . 7.5 m-20 -65.27 109.56 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.159 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.85 90.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.671 -175.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.35 -33.2 74.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.176 0.512 . . . . 0.0 110.658 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 2.5 mp0 -71.11 -45.92 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 77' ' ' ASP . 69.9 t -55.58 -45.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.363 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -52.14 -43.71 64.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.176 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -65.39 -50.27 66.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.062 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 30.3 mt-10 -56.97 -43.66 81.85 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.208 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.1 t -58.38 -48.97 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-O 120.68 0.276 . . . . 0.0 111.434 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.81 -28.58 66.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.786 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -75.48 -9.58 58.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 110.889 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.3 m -111.7 -11.7 13.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.719 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.74 105.7 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.672 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.24 175.52 5.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.657 -176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -101.26 151.51 21.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.69 0.281 . . . . 0.0 110.985 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.17 70.37 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.503 0.668 . . . . 0.0 110.721 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 p -81.59 -20.52 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.595 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.44 -9.03 57.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.297 0.57 . . . . 0.0 110.664 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.17 37.27 20.85 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.917 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -152.43 120.17 6.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.906 -176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.5 -32.84 74.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.01 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.9 m -60.58 -40.52 92.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.883 0.373 . . . . 0.0 110.405 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -82.41 -28.44 31.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.086 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -66.08 -52.87 44.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.138 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.38 84.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 75.6 t80 -66.71 -34.52 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.865 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.27 -39.89 89.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.207 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.58 81.08 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.79 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -63.05 -48.07 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.727 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -62.73 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.4 t -62.87 -43.41 98.86 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.198 0.523 . . . . 0.0 110.877 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 72' ' ' LEU . 22.6 t80 -74.8 -42.1 58.73 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.006 -172.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -7.06 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 111.308 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -86.65 -20.01 28.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -128.99 -16.19 4.13 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.01 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.532 ' O ' HG13 ' A' ' 116' ' ' ILE . 14.4 m-80 -147.35 68.07 1.14 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.373 0.269 . . . . 0.0 110.971 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.3 tp -83.39 -36.14 24.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.08 0.467 . . . . 0.0 110.767 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 m -62.66 -35.94 81.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.14 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.4 HD22 ' NH1' ' A' ' 76' ' ' ARG . 49.1 tp -66.36 -35.14 79.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.394 177.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 112' ' ' ASN . 59.5 mt -66.3 -42.61 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.121 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.7 mttt -64.34 -40.72 96.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.592 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.89 -20.02 58.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.32 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.423 ' HA ' ' HB3' ' A' ' 74' ' ' HIS . 82.6 p -71.35 -34.73 70.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.7 pt -96.93 -10.94 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 117' ' ' LYS . 16.8 tptm -91.08 126.18 36.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.309 -177.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.95 68.94 0.68 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.646 0.736 . . . . 0.0 110.095 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.072 -175.593 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.43 H162 H132 ' A' ' 201' ' ' ACD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.972 0.415 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -137.9 122.69 18.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.656 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -64.89 121.75 15.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.498 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.13 121.67 40.34 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.274 0.559 . . . . 0.0 110.747 -176.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -97.0 158.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.15 177.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -91.93 95.19 9.68 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.126 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -75.12 -174.72 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.061 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.538 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 11.5 m -59.52 -43.14 93.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.097 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.33 -46.65 87.74 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.87 -39.82 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.077 0.465 . . . . 0.0 110.212 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 67.4 tp -64.16 -41.12 97.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.171 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 8' ' ' THR . 22.1 mt-30 -67.4 -22.72 65.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.278 0.561 . . . . 0.0 110.116 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.604 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 31.7 ttm180 -70.92 -62.48 1.38 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.69 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -59.06 -38.42 79.36 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.573 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.46 -36.82 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.591 -175.453 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -69.53 -42.33 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 0.0 110.577 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.1 mm-40 -56.61 -50.65 71.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.131 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -64.43 -37.27 86.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.62 -53.04 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 120.896 0.379 . . . . 0.0 110.714 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 t -64.18 -36.99 85.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.289 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -75.63 -48.09 23.66 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.54 10.85 8.06 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -173.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.76 38.61 27.44 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.361 0.601 . . . . 0.0 111.063 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -73.17 122.34 87.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.209 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.03 143.55 91.07 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.822 2.348 . . . . 0.0 112.11 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.57 63.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.339 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.75 -52.57 63.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.9 175.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.2 -40.5 94.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.242 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.3 -40.93 82.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.083 0.468 . . . . 0.0 110.819 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -38.22 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.365 177.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.72 -48.09 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.477 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -57.63 -24.25 55.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.264 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -64.77 -31.06 72.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.431 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -107.88 30.7 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.7 m95 51.55 41.04 28.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.33 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -105.42 109.19 21.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.971 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -115.97 91.67 32.12 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.5 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.66 140.67 94.24 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 112.074 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.59 89.45 3.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.69 0.757 . . . . 0.0 109.814 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.3 t70 -155.6 145.22 21.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.018 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.55 -29.98 39.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.243 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 m -58.04 -59.16 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.447 ' O ' HG12 ' A' ' 47' ' ' ILE . 19.1 m -57.72 -34.57 69.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.975 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.598 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -68.16 -51.18 48.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.769 -174.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.512 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 72.9 m -64.91 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -63.87 -47.51 80.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.57 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 43' ' ' THR . 28.1 mm -59.34 -41.79 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.789 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.55 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -66.0 -43.96 86.2 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.673 -178.512 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.96 -44.09 82.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 111.073 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.11 -49.09 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.203 0.525 . . . . 0.0 110.699 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -65.18 -22.99 66.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.854 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -76.78 -44.12 34.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.177 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -72.81 -24.77 60.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.05 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.2 mtp -86.99 4.94 39.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.028 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 56.2 50.49 13.36 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.297 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD13 ' HG2' ' A' ' 71' ' ' GLN . 6.8 mt -126.56 -20.49 4.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.777 -174.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -138.11 139.35 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -121.57 141.43 51.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.524 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.21 -23.6 67.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.545 -175.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -95.93 -64.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.644 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -73.76 -16.31 61.17 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.64 -146.06 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.204 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.58 124.88 16.79 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.872 2.381 . . . . 0.0 111.934 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.8 95.36 10.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.106 0.479 . . . . 0.0 109.925 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 69' ' ' VAL . 77.3 t -51.71 -46.61 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.838 -1.074 . . . . 0.0 113.136 -172.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.86 -52.25 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.686 0.279 . . . . 0.0 111.301 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.472 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 4.7 m-20 -62.93 -33.22 74.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.713 0.292 . . . . 0.0 110.324 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.41 -44.69 95.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.167 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 65' ' ' VAL . 74.7 t -68.31 -47.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -66.24 -17.74 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 111.388 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 67' ' ' ASN . 3.4 tp-100 -90.48 -60.44 1.92 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.268 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 74' ' ' HIS . 98.7 mt -69.08 -40.04 78.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.911 -173.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.75 33.2 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.477 ' H ' ' C ' ' A' ' 72' ' ' LEU . 34.9 t-80 -72.11 87.03 1.06 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.923 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.87 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.502 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HD2' HD11 ' A' ' 115' ' ' LEU . 24.7 mtt180 -149.01 168.43 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 111.242 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.441 ' O ' HG22 ' A' ' 81' ' ' VAL . 32.4 m-20 -61.48 105.84 0.57 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.101 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.65 67.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.974 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.56 -44.23 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.89 -42.78 94.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.101 0.477 . . . . 0.0 109.879 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 77' ' ' ASP . 95.7 t -57.72 -47.43 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.445 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -57.82 -45.21 86.48 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.73 0.3 . . . . 0.0 110.488 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 m -58.89 -52.76 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.106 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -57.26 -42.32 81.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.767 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.492 ' O ' HG22 ' A' ' 89' ' ' VAL . 37.9 t -59.67 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.6 -31.23 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.456 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -73.0 -6.61 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.044 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.8 m -113.17 -13.91 12.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 85' ' ' VAL . 57.2 t -85.13 131.22 34.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.711 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -160.15 -178.19 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.579 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.515 ' HZ3' ' HB3' ' A' ' 91' ' ' LYS . 4.6 mtpm? -71.46 152.34 43.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 112.563 -171.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.507 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 0.9 OUTLIER -76.41 64.23 2.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.639 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -64.74 -24.01 67.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.599 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.74 -9.14 59.83 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.891 0.377 . . . . 0.0 110.69 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 56.39 23.78 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -133.67 117.75 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.03 77.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.343 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.55 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 86.3 m -63.55 -43.33 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -78.24 -26.92 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.507 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 12.4 t90 -68.76 -52.73 27.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.441 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.562 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.557 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 81.1 t80 -65.56 -33.93 77.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.789 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -63.79 -46.17 86.39 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.346 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.463 ' O ' H192 ' A' ' 201' ' ' ACD . . . -60.39 -44.08 97.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.755 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -68.21 -46.7 69.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -64.25 -41.09 97.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.137 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.1 t -62.96 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -75.39 -47.71 26.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.114 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -67.83 -11.13 57.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.477 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.23 -34.21 76.98 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.98 -15.45 4.8 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.271 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -128.19 55.44 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.737 0.304 . . . . 0.0 111.28 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.2 tp -83.0 -32.98 26.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.6 t -60.36 -36.5 78.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.496 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.405 HD11 ' HD2' ' A' ' 76' ' ' ARG . 46.3 tp -65.98 -35.05 79.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.4 mt -67.58 -37.81 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.322 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.76 -36.43 78.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.845 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.08 -30.24 62.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.405 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.6 t -56.48 -47.4 79.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.314 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.4 pt -90.95 3.11 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.789 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -88.49 120.5 29.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -75.09 95.54 3.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 172.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.502 -174.391 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.463 H192 ' O ' ' A' ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -80.35 114.59 19.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -62.05 104.12 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.318 0.58 . . . . 0.0 110.25 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.68 113.99 26.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.51 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 m -75.68 149.34 6.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.514 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 40.6 m -64.16 104.97 0.8 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.262 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -86.09 177.84 7.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.535 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -60.03 -41.58 92.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 109.888 177.593 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -54.19 -45.34 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.866 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.25 -40.07 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.225 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.0 tp -65.13 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 8' ' ' THR . 35.1 mt-30 -70.65 -23.44 62.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.6 ttm180 -75.49 -51.14 13.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.409 178.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.1 -30.82 71.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.927 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.503 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 40.1 mtt180 -52.53 -45.46 66.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.006 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -63.8 -52.41 60.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.76 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.91 -41.08 97.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.45 -34.92 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.62 -53.6 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -65.67 -39.17 91.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.469 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -72.84 -44.06 61.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.553 0.216 . . . . 0.0 111.218 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -87.9 10.56 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t30 54.19 41.96 31.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.236 0.541 . . . . 0.0 110.795 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.5 mm -72.1 115.92 43.47 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.459 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -61.94 144.76 96.83 Favored 'Trans proline' 0 C--O 1.238 0.501 0 C-N-CA 122.956 2.437 . . . . 0.0 111.776 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.12 -35.26 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.431 -1.259 . . . . 0.0 112.468 -174.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.6 p30 -60.01 -38.12 81.72 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.189 0.306 . . . . 0.0 111.176 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.2 -39.52 82.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.653 0.264 . . . . 0.0 110.718 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.72 -44.62 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.218 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.7 mt-10 -61.97 -31.34 71.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 60.5 mttp -69.64 -46.16 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.01 -35.83 75.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.099 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -66.74 -17.71 65.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.375 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -108.13 17.06 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.8 m95 56.25 44.8 24.27 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.096 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -123.08 109.97 14.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.049 0.452 . . . . 0.0 110.249 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -114.09 97.8 46.33 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.125 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.23 148.56 69.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.603 2.202 . . . . 0.0 112.512 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -84.25 73.65 10.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.68 0.752 . . . . 0.0 109.53 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.658 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -142.84 157.07 44.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.258 -174.021 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -56.46 -41.43 76.52 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 m -55.55 -57.39 12.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.066 0.46 . . . . 0.0 111.191 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 m -58.13 -37.29 74.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.398 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.658 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.19 -45.25 77.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.266 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 74.4 m -68.45 -27.14 65.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.078 0.466 . . . . 0.0 110.722 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.503 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 34.0 t80 -64.17 -42.68 96.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.103 174.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.59 -40.74 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.923 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -62.35 -47.36 84.53 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.727 -178.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.2 -49.72 76.05 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.74 -47.3 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 120.919 0.39 . . . . 0.0 111.323 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.1 m-30 -64.61 -27.11 68.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -76.15 -42.23 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.86 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -69.65 -25.87 64.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.514 ' SD ' ' HB3' ' A' ' 6' ' ' SER . 46.0 mmm -82.33 2.08 33.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.703 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 53.98 46.58 25.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.242 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 HD13 ' HG2' ' A' ' 71' ' ' GLN . 8.6 mt -127.21 -19.44 4.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.358 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.9 t80 -140.76 137.89 33.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.696 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -118.56 140.97 49.05 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.67 -5.07 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.224 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 18.7 m -106.08 -62.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.24 -13.68 59.89 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.61 -156.2 31.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.081 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.37 122.86 12.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.109 2.54 . . . . 0.0 111.886 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.38 88.18 7.26 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 69' ' ' VAL . 97.7 t -50.7 -46.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.731 -1.122 . . . . 0.0 113.152 -171.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.73 -50.23 74.33 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.513 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -60.45 -36.29 77.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.192 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.19 -38.86 88.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.401 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 65' ' ' VAL . 62.1 t -72.92 -43.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.689 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -59.68 -29.55 68.16 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.977 0.418 . . . . 0.0 111.261 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.447 ' HG2' HD13 ' A' ' 56' ' ' LEU . 46.4 tp60 -88.62 -59.06 2.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.196 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.9 mt -67.94 -46.22 72.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.62 32.52 0.08 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.412 ' H ' ' C ' ' A' ' 72' ' ' LEU . 52.2 t-80 -73.55 97.28 2.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.986 0.422 . . . . 0.0 110.097 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.09 23.67 40.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.281 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -145.84 167.81 22.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.496 ' O ' HG22 ' A' ' 81' ' ' VAL . 24.9 t70 -63.43 113.65 3.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.306 0.574 . . . . 0.0 111.219 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.17 72.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.993 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.89 -43.54 75.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.119 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.67 -43.9 92.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 77' ' ' ASP . 70.4 t -57.07 -50.36 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.359 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.71 -43.21 76.29 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.031 0.443 . . . . 0.0 110.667 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -64.14 -51.39 64.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.177 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -54.46 -41.96 70.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.357 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 89' ' ' VAL . 41.7 t -60.6 -54.94 28.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 176.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.37 -31.42 65.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.808 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -55.42 -28.24 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.563 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.15 13.06 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 85' ' ' VAL . 71.5 t -78.11 99.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 109.526 171.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -113.87 -177.68 3.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.864 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -100.13 163.3 12.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.477 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.7 t30 -75.87 68.86 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.771 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.2 p -77.87 -15.23 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.717 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.92 -11.72 35.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.498 . . . . 0.0 110.545 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.05 24.39 12.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.516 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -143.95 122.64 12.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.005 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.49 -24.58 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.817 -175.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.526 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 63.3 m -66.02 -44.02 85.92 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.291 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.45 -30.28 53.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.443 . . . . 0.0 109.877 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.477 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -66.75 -54.3 24.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.583 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 66.0 t80 -67.84 -30.99 70.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.52 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -62.45 -46.52 88.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 110.044 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.98 -46.19 82.94 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.127 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.65 -42.84 90.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.701 0.286 . . . . 0.0 110.913 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.8 -45.28 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.049 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.82 -49.84 74.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.491 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.451 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 23.4 t80 -66.93 -43.91 82.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.905 -171.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 1.4 pp0? -67.27 -26.61 66.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.28 -29.09 69.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -117.03 -27.9 6.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.67 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -134.78 60.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 0.0 111.15 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 109' ' ' GLN . 58.4 tp -82.69 -27.23 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -64.39 -35.92 82.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.014 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.7 tp -68.5 -33.95 75.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.1 -42.55 88.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.054 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -64.54 -42.1 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.378 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.81 95.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.467 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -57.26 -48.87 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.338 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.6 pt -90.8 1.86 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.529 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.464 ' HZ1' ' HB3' ' A' ' 121' ' ' LYS . 7.0 ttpm? -65.73 123.05 18.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 123.84 4.35 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.506 0.669 . . . . 0.0 111.663 -174.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.812 176.552 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.499 ' C1 ' ' HH ' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.35 123.2 44.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 111.025 -178.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -99.95 129.57 46.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.719 173.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.88 121.97 46.7 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 179.446 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -78.82 139.61 18.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.412 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -89.14 103.26 15.89 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.628 -177.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 p -77.72 178.15 7.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.08 -40.89 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 0.0 110.883 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.14 -33.53 74.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -80.24 -38.05 31.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.979 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.88 -37.95 88.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.46 -176.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -64.9 -25.77 68.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 110.683 -178.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -70.38 -55.51 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.987 178.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.11 -34.62 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.49 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.727 HH21 ' C1 ' ' A' ' 201' ' ' ACD . 3.0 ttm180 -59.77 -47.51 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.219 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.9 m -68.12 -44.3 76.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 -179.04 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -40.39 86.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.691 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.69 -35.15 65.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.79 177.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 15' ' ' ARG . 4.1 t -60.94 -54.12 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 177.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -60.31 -36.43 77.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.446 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 t -78.37 -48.68 15.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.337 -175.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.32 9.88 11.96 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 m120 56.61 38.84 29.89 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.472 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.42 120.36 79.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.428 178.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -59.56 140.74 95.33 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.754 2.303 . . . . 0.0 111.736 177.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.94 -32.05 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.565 -177.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.26 -45.21 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.358 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.67 -36.96 85.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 176.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.4 -43.01 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.389 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.3 mt-10 -62.7 -29.28 70.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 178.269 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.2 mttm -68.69 -52.28 32.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 175.297 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -57.0 -42.01 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 -177.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -65.18 -17.79 64.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 9.4 ptmt -109.22 15.88 22.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.399 0.619 . . . . 0.0 109.835 178.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.9 m95 64.49 43.88 4.31 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.209 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -122.84 114.08 20.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.83 177.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -120.9 92.12 48.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.038 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -59.83 152.97 59.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.76 2.306 . . . . 0.0 112.736 178.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.31 84.39 1.92 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.998 176.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.657 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.2 OUTLIER -148.95 136.52 20.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.178 -172.632 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.06 -30.36 70.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.317 -173.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.601 ' HB ' ' OD2' ' A' ' 40' ' ' ASP . 89.2 m -61.91 -53.4 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.366 173.594 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 58.7 m -55.38 -35.83 65.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.267 176.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.657 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -67.24 -48.72 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.58 -175.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.6 m -66.21 -28.6 68.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.477 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.73 -50.72 71.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 175.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 mm -58.72 -39.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.66 177.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -58.41 -54.57 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.545 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.6 t -58.35 -46.46 86.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.722 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.94 -46.83 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.122 0.486 . . . . 0.0 110.861 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.69 -23.3 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.994 -179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -79.63 -43.82 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.276 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -70.47 -25.03 62.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.604 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.5 mtp -88.25 5.32 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.448 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 57.19 46.31 19.06 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.182 -178.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.2 mt -123.19 -14.69 7.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.991 0.424 . . . . 0.0 111.588 -173.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -140.71 136.69 32.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.082 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -118.81 138.98 52.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.232 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.17 -20.03 65.73 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.44 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.49 -13.62 60.71 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.44 -146.69 26.3 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.058 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.22 122.08 11.18 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.037 2.491 . . . . 0.0 111.848 176.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 mt -83.07 92.27 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.089 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.1 t -50.71 -44.82 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.753 -174.565 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.33 -54.33 48.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.687 0.279 . . . . 0.0 111.194 -177.115 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -63.6 -33.65 76.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.236 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 65' ' ' VAL . 66.2 t -67.92 -43.34 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.546 176.646 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -58.26 -32.32 68.26 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.491 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.448 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 52.8 tp60 -87.15 -60.07 2.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.236 -178.358 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' C ' ' H ' ' A' ' 74' ' ' HIS . 87.6 mt -65.85 -42.87 89.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.657 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.65 32.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' A' ' 72' ' ' LEU . 54.2 t-80 -68.94 89.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.888 179.544 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.9 27.98 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.351 -178.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -146.38 164.49 32.27 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.88 -0.188 . . . . 0.0 110.781 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.427 ' O ' HG23 ' A' ' 81' ' ' VAL . 17.0 m-20 -60.9 105.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.684 0.615 . . . . 0.0 111.334 -177.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.469 -175.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.06 -37.9 89.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -177.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.72 -46.53 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.004 176.209 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 77' ' ' ASP . 81.1 t -56.06 -48.22 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.33 178.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.04 -43.93 64.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.139 0.495 . . . . 0.0 110.794 176.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -67.95 -53.36 26.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.525 -176.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -56.27 -38.53 71.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.49 179.162 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.423 ' O ' HG21 ' A' ' 89' ' ' VAL . 28.9 t -61.01 -50.96 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.014 175.427 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.5 mt -57.57 -31.67 66.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.873 -178.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.29 -17.51 63.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.943 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.0 m -106.31 -8.48 17.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 85' ' ' VAL . 97.0 t -73.93 99.7 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -105.01 170.41 7.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.184 -175.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -86.68 151.26 23.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.791 -177.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -84.17 65.51 8.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.497 0.665 . . . . 0.0 110.038 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.7 p -74.42 -30.26 61.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.854 -178.371 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD1' ' A' ' 99' ' ' HIS . 5.1 p-10 -86.1 -6.21 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 110.743 -177.64 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 58.92 33.61 23.14 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.64 172.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.19 72.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.118 -172.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.78 -43.16 97.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.39 176.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.412 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 52.5 t-80 -78.76 -25.59 44.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.692 0.282 . . . . 0.0 110.432 -177.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -65.78 -53.08 45.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.972 177.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.66 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.245 177.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 73.4 t80 -69.28 -31.42 69.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.759 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -69.24 -40.44 77.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.248 -178.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' H192 ' A' ' 201' ' ' ACD . . . -65.99 -45.96 84.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.752 178.053 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -64.52 -44.79 89.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -66.27 -39.18 89.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.244 -175.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.03 -41.91 98.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -75.65 -48.17 23.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.407 -171.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -67.12 -18.86 65.49 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.712 0.292 . . . . 0.0 111.153 -177.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.64 -33.84 75.85 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 110.594 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -114.93 -29.9 6.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.153 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -133.15 65.05 1.6 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.342 -171.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -83.9 -25.71 29.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 110.2 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.7 m -63.62 -39.18 93.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.597 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 tp -66.1 -35.92 81.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.392 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.04 -41.13 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.24 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.28 -45.91 89.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.954 178.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.23 -29.76 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.585 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.448 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 46.8 t -56.1 -43.11 77.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.981 -179.343 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.2 pt -92.4 1.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.923 0.392 . . . . 0.0 111.414 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -90.57 117.32 29.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.663 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 122' ' ' LYS . 14.8 tptt 67.58 141.69 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.977 0.894 . . . . 0.0 112.323 178.486 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.941 175.039 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.727 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.553 0.216 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -84.95 109.25 18.03 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.213 0.53 . . . . 0.0 110.931 -177.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -69.41 111.7 5.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.657 176.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.96 118.58 37.2 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.184 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.27 142.94 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -76.28 102.31 5.81 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.052 -177.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.9 p -77.57 179.43 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 177.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -54.74 -41.7 70.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 177.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.6 -43.17 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -178.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.73 -41.88 97.99 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.694 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.7 tp -58.63 -45.89 88.27 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.765 -178.562 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.53 -31.08 71.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.17 0.509 . . . . 0.0 110.719 -176.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -64.44 -49.3 72.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.501 177.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.94 -36.2 82.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.1 -177.16 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.694 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 29.8 mtm180 -64.83 -35.3 80.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.463 -179.58 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.2 m -64.91 -44.22 90.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 0.0 110.731 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -45.2 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 177.292 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.02 -34.05 77.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.882 178.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.73 -51.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 179.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 t -64.04 -40.26 95.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.444 -179.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -71.26 -44.63 64.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.653 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.13 9.9 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 m120 53.54 39.7 30.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.894 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.5 mm -66.43 118.14 50.73 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.6 147.83 94.45 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.173 2.582 . . . . 0.0 112.187 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -26.74 48.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.963 -178.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.73 -57.55 11.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.774 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -63.23 -39.95 96.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.609 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.88 -42.0 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.243 0.544 . . . . 0.0 110.693 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -33.43 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.519 178.617 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.582 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.9 mttm -65.59 -42.98 91.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.207 175.015 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -68.85 -11.31 60.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.863 -178.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -78.36 -23.09 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.811 174.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 16.1 ptmt -109.49 9.02 25.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.314 -179.201 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.5 m95 57.08 54.07 7.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.73 -175.058 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' O ' ' HD3' ' A' ' 38' ' ' PRO . 36.0 tt0 -119.68 110.78 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.62 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.18 91.19 22.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.498 -176.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.448 ' HD3' ' O ' ' A' ' 36' ' ' GLU . 26.3 Cg_exo -65.24 151.91 83.85 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.798 2.332 . . . . 0.0 112.591 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -75.46 91.66 2.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.764 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.0 t70 -156.01 142.36 18.44 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.335 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.15 -25.28 65.4 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.426 -175.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.3 m -59.45 -56.62 19.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.486 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.4 m -60.03 -34.74 73.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.158 178.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.5 mtt -67.19 -51.59 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.531 -174.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.1 m -65.81 -29.1 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.703 0.287 . . . . 0.0 110.603 178.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 29.0 t80 -60.86 -50.82 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 175.683 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.47 -40.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.823 178.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -61.52 -48.59 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.222 -178.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -57.91 -49.52 76.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.373 178.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.96 -47.2 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.367 0.603 . . . . 0.0 111.158 -177.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.9 m-30 -67.38 -27.11 66.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.993 -178.11 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -80.06 -39.31 30.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.564 -177.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -71.76 -30.83 66.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.0 mtm -82.24 4.84 21.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 175.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 53.91 48.54 21.02 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.596 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -117.85 -17.12 9.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.533 -177.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 101' ' ' ALA . 74.5 t80 -141.91 141.23 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.768 178.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.531 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 25.4 t70 -127.9 146.67 50.55 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.356 177.402 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.67 -9.81 59.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.211 -0.306 . . . . 0.0 111.34 -176.264 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.531 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 23.2 m -96.49 -64.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.124 176.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.54 -18.66 54.36 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.744 0.307 . . . . 0.0 111.646 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.22 -144.62 20.92 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.988 -175.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.38 123.51 11.58 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.295 1.997 . . . . 0.0 111.616 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -81.63 88.84 6.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.669 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.9 t -49.75 -44.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.517 -174.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.13 -51.44 69.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.756 -177.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.27 -35.37 77.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.516 178.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.0 mt -58.78 -49.85 76.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.362 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.72 -37.25 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -61.95 -31.51 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 0.0 110.635 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -89.34 -57.16 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.942 -177.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -64.38 -44.2 92.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.53 -174.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.94 0.12 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -68.86 99.71 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.35 29.74 55.48 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.172 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -147.07 160.76 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -65.22 106.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.378 0.609 . . . . 0.0 111.751 -175.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.03 -32.58 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.065 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.21 -47.91 83.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.239 179.308 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.8 mt-10 -67.56 -45.89 74.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.308 178.893 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.68 -48.77 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.51 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -58.17 -42.84 86.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 177.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -61.61 -53.92 49.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.081 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.3 mt-10 -60.97 -36.17 78.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.049 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.498 ' O ' HG21 ' A' ' 89' ' ' VAL . 28.7 t -61.54 -50.65 79.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.643 0.259 . . . . 0.0 110.867 173.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.96 -31.53 66.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.813 -177.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -69.4 -14.45 62.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.141 0.496 . . . . 0.0 110.916 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -108.85 -5.95 16.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 85' ' ' VAL . 93.0 t -82.66 108.44 15.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -106.55 167.07 10.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.322 178.267 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HZ3' ' HB2' ' A' ' 91' ' ' LYS . 7.5 mtmp? -87.93 157.67 18.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.924 177.396 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.47 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 59.2 t30 -78.93 75.03 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.145 0.498 . . . . 0.0 111.27 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 56.2 p -90.33 -18.68 25.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.297 174.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.419 ' CG ' HH12 ' A' ' 103' ' ' ARG . 3.9 m-20 -73.89 -31.15 62.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.205 -176.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 66.0 21.17 11.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.847 -176.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.79 117.47 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 174.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.37 -30.85 70.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.863 -175.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.83 -44.04 91.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.569 0.224 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -79.6 -26.79 41.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.028 0.442 . . . . 0.0 110.279 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.47 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -68.1 -54.34 18.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.334 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . . . -63.78 -37.66 88.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.972 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.445 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 76.7 t80 -66.18 -35.23 79.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.265 -176.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.419 HH12 ' CG ' ' A' ' 94' ' ' ASP . 34.9 ttp180 -71.95 -34.45 69.01 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.221 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.51 70.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.588 176.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.39 -47.21 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.808 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -62.23 -40.29 95.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.017 -177.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.44 -45.79 92.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.97 178.313 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -74.07 -46.35 43.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.15 -173.003 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -66.23 -29.87 70.21 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.58 -18.83 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 110.743 -177.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -118.45 -31.97 4.76 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.381 -178.576 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.405 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.9 m-20 -134.63 57.41 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.69 -173.079 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 67.6 tp -76.34 -33.79 58.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.914 0.387 . . . . 0.0 111.051 -178.115 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -65.34 -31.13 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.079 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.36 -35.67 76.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 176.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 112' ' ' ASN . 58.9 mt -68.38 -43.47 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.6 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.05 -35.89 81.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.981 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.65 73.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.046 176.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -57.06 -44.94 83.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.761 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.17 0.05 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.59 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -80.94 121.61 26.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.163 0.506 . . . . 0.0 111.103 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -155.48 125.37 6.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.658 177.072 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.689 178.606 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.561 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.617 0.246 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -157.23 131.43 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 110.609 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -109.29 124.54 51.09 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.064 176.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -100.7 134.26 43.94 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.907 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.92 150.11 6.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.153 177.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 p -69.75 93.68 0.75 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.396 177.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -76.19 -172.83 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.297 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 m -50.24 -55.02 17.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.115 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -43.2 94.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.349 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -62.28 -42.1 99.06 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.675 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.8 tp -60.91 -48.14 83.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -59.76 -34.28 72.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.359 0.599 . . . . 0.0 110.412 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 13' ' ' ARG . 40.2 ttp-105 -67.32 -40.78 85.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.725 -179.238 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.28 -36.56 74.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.675 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 42.7 mtm180 -64.27 -29.36 70.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.063 -178.713 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.0 m -60.63 -50.52 73.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.089 0.471 . . . . 0.0 110.906 177.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.67 -40.22 84.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.576 -176.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.34 -34.15 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.577 0.227 . . . . 0.0 111.181 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.86 -52.25 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 110.704 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -66.09 -29.49 69.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.609 -177.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 m -83.41 -45.7 13.38 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -176.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -84.98 11.35 9.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.63 0.252 . . . . 0.0 111.678 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 54.79 38.37 30.09 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.422 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.0 mm -70.71 123.17 88.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.185 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -62.46 144.04 94.19 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.751 2.301 . . . . 0.0 111.881 178.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.41 -34.27 61.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.719 177.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.71 -54.45 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.449 174.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -60.83 -37.63 82.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.654 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.6 -43.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.579 -178.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.1 mt-10 -66.05 -31.1 71.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.524 179.093 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -65.31 -48.94 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.731 177.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -57.92 -32.45 67.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -178.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.79 -36.49 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.448 . . . . 0.0 110.181 176.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -92.79 17.9 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.248 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.9 m95 51.46 43.39 29.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.055 -174.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -106.05 112.95 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.93 175.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -116.24 91.7 33.48 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.899 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 146.09 85.14 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.932 2.421 . . . . 0.0 113.079 177.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.45 81.35 8.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.971 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 44' ' ' MET . 3.4 p30 -157.02 161.9 39.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.851 176.323 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.54 -22.83 67.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.025 -0.988 . . . . 0.0 112.502 -167.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.2 m -63.23 -59.59 4.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 178.003 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.444 ' O ' HG12 ' A' ' 47' ' ' ILE . 40.7 m -57.01 -34.65 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.013 177.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.1 mtt -66.89 -52.53 42.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.055 -174.711 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.56 -29.35 69.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.196 0.522 . . . . 0.0 110.148 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.543 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 25.2 t80 -61.03 -44.35 97.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.702 175.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 43' ' ' THR . 29.8 mm -61.23 -41.91 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.77 -178.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -69.63 -40.61 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.065 -177.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.1 t -56.27 -46.76 79.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.749 177.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.08 -44.11 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 110.689 179.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -68.17 -20.27 64.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.211 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -78.52 -43.4 26.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.611 175.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -65.91 -29.92 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.06 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.422 ' SD ' HD13 ' A' ' 11' ' ' LEU . 97.0 mtp -89.91 -4.58 57.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.365 -178.46 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 59.38 57.39 3.38 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.188 -177.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -129.36 -21.05 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.838 -174.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.4 t80 -135.3 137.52 42.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 30.3 t70 -113.82 138.71 49.91 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.71 -19.61 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.12 0.486 . . . . 0.0 110.333 -173.208 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.458 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 53.3 m -91.28 -64.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.82 179.031 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -79.64 -13.15 59.7 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 -151.24 23.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.462 -179.168 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.35 123.54 14.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 123.239 2.626 . . . . 0.0 111.902 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -85.63 92.45 8.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.222 0.534 . . . . 0.0 110.084 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 69' ' ' VAL . 82.2 t -49.25 -44.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.96 -174.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.81 -51.56 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.672 0.273 . . . . 0.0 111.307 -176.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.47 -35.04 79.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 178.271 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.41 ' CD2' H162 ' A' ' 201' ' ' ACD . 18.8 mt -61.16 -45.26 95.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.46 -179.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 65' ' ' VAL . 99.5 t -68.77 -38.77 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 178.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -65.23 -28.58 69.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 74' ' ' HIS . 50.7 tp60 -87.1 -60.09 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.764 -179.496 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 HD12 ' CZ ' ' A' ' 108' ' ' PHE . 97.6 mt -65.49 -50.55 64.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.995 -176.407 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.0 26.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.519 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 71' ' ' GLN . 3.8 t60 -75.87 89.38 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.43 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.93 28.63 6.83 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.815 -174.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -157.21 169.04 25.67 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.002 0.521 . . . . 0.0 109.882 178.019 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.45 121.59 14.75 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.662 0.744 . . . . 0.0 111.109 -178.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.39 -37.83 86.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.383 -175.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -43.52 79.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.461 -174.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.24 -50.9 72.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 175.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.55 -47.36 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.285 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -54.52 -44.49 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 177.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 m -61.34 -53.36 57.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.295 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.76 -36.02 81.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.781 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 89' ' ' VAL . 24.8 t -59.96 -49.98 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 174.024 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.02 -31.18 66.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.798 -178.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -75.01 -11.15 60.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.395 0.617 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.04 -8.14 17.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.301 177.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 85' ' ' VAL . 97.7 t -80.0 100.29 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.661 175.192 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.46 170.67 7.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.864 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -86.03 150.55 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.102 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -76.32 64.59 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.594 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -76.43 -18.56 58.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.142 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -73.89 -21.01 60.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.157 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 64.08 19.54 11.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.463 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -135.62 117.6 15.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.51 75.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.333 -173.144 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.6 m -63.75 -40.32 96.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.634 178.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.485 ' O ' ' HB2' ' A' ' 103' ' ' ARG . 49.5 t-80 -77.46 -24.89 50.18 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.289 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -67.92 -51.73 44.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.897 0.38 . . . . 0.0 110.542 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.59 90.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.29 177.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.7 -27.54 65.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.484 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 72.1 ttt180 -69.82 -46.12 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.95 -178.125 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.58 -46.34 90.39 Favored Glycine 0 C--N 1.33 0.242 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.942 178.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.64 -45.71 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.028 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.38 -32.67 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.313 -175.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 13.4 t -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.035 0.445 . . . . 0.0 111.424 178.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.403 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 34.7 t80 -72.16 -44.01 63.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -173.119 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.42 -23.28 67.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.805 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -61.88 -28.96 69.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -120.22 -28.68 5.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -175.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -136.15 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -172.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.63 -29.13 45.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.107 0.479 . . . . 0.0 110.67 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 p -61.57 -39.59 91.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.6 tp -67.03 -34.22 77.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.95 -41.25 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.094 178.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.39 -39.77 74.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.088 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.92 -36.95 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.218 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.3 p -61.39 -38.55 87.45 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.3 pt -87.99 -10.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.279 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -91.46 123.23 34.72 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -146.28 109.34 4.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.986 0.422 . . . . 0.0 110.183 179.013 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.191 178.321 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.489 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.446 0.165 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 65.9 65.61 0.52 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.277 0.561 . . . . 0.0 111.139 178.535 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -72.17 107.21 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 173.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.15 121.22 40.73 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.628 -176.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.507 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 1.2 m -81.51 146.14 7.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.483 178.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 m -67.04 101.04 0.81 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.42 178.42 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -78.33 -174.16 3.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -58.54 -39.59 80.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.741 0.305 . . . . 0.0 111.07 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.56 -45.67 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.413 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -63.47 -39.37 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 110.168 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -63.03 -36.16 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.026 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -69.27 -21.98 63.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.033 0.444 . . . . 0.0 110.578 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 20.0 tpp180 -76.48 -53.56 7.94 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.27 -41.3 98.34 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.181 -178.179 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.532 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.6 OUTLIER -64.66 -33.23 75.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.84 -176.373 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -62.16 -51.88 66.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.823 176.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 7.4 mt-10 -65.67 -39.98 91.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.867 -176.172 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.16 -34.51 78.24 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 120.673 0.273 . . . . 0.0 110.75 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.23 -51.55 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 t -66.64 -31.98 73.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.693 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.8 m -76.83 -48.73 17.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.035 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.4 mt -83.83 10.78 8.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.423 -176.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 54.04 34.94 20.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.526 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.05 117.98 41.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.489 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.65 144.19 97.87 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.119 2.546 . . . . 0.0 112.188 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.24 -36.13 63.21 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.947 -176.675 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.46 -48.61 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.431 0.457 . . . . 0.0 111.128 177.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -62.76 -39.05 92.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.61 -45.75 82.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.281 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.7 mt-10 -61.71 -41.12 97.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -26.78 61.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.61 -176.279 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.42 ' CE2' HG23 ' A' ' 43' ' ' THR . 20.2 m-85 -79.09 -19.79 50.35 Favored 'General case' 0 C--O 1.226 -0.173 0 O-C-N 122.131 -0.355 . . . . 0.0 110.358 176.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -79.17 -11.85 59.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.446 0.641 . . . . 0.0 109.609 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -105.29 19.73 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.339 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.5 m95 50.33 47.88 23.16 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.085 -177.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -120.33 115.16 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.96 82.55 55.8 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 -176.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.87 155.55 63.31 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.117 2.545 . . . . 0.0 112.671 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.51 89.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.914 177.253 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.621 ' O ' ' HG3' ' A' ' 44' ' ' MET . 13.4 t70 -150.31 142.64 24.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.392 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.8 -26.29 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.667 -173.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -68.94 -47.8 64.8 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.467 0.651 . . . . 0.0 109.62 178.206 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.42 HG23 ' CE2' ' A' ' 32' ' ' PHE . 18.7 m -61.88 -36.35 81.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.927 178.1 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.621 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -66.82 -50.45 62.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.762 -174.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.27 -30.48 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.7 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.16 -49.84 76.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.472 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -61.07 -37.14 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.836 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.48 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.41 -55.16 36.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.135 179.687 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 t -54.61 -46.88 73.91 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.507 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.1 -48.58 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.171 0.51 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.73 -24.44 66.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.096 -177.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.34 -40.99 28.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.281 -179.212 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -75.85 -20.27 58.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.29 -178.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.5 mtp -88.17 5.81 39.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 56.71 42.47 26.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.117 -178.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mt -119.99 -16.71 8.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.21 -173.637 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -144.44 137.77 27.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.946 179.108 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -127.37 146.19 50.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.559 -179.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.89 -24.98 66.17 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.884 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.1 m -94.36 -65.12 1.01 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.444 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.89 -15.29 61.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.034 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.67 -150.31 31.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.992 -177.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.82 119.85 7.37 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 0.0 111.32 176.078 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.64 88.58 5.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.117 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' O ' HG21 ' A' ' 69' ' ' VAL . 75.8 t -49.05 -44.82 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.445 -174.503 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.63 -54.03 51.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.76 0.314 . . . . 0.0 111.411 -177.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -65.86 -31.63 72.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 179.111 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.9 mt -63.44 -40.13 96.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.223 179.54 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 65' ' ' VAL . 88.9 t -72.05 -43.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 177.249 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -64.33 -22.53 66.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 0.0 111.056 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.559 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 53.9 tp60 -90.19 -60.92 1.8 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.124 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 74' ' ' HIS . 91.8 mt -67.19 -41.88 85.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.595 -174.211 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.83 35.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.49 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.9 t-160 -64.03 82.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.355 0.662 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.41 35.83 9.21 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.197 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -148.88 169.68 19.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.565 0.182 . . . . 0.0 110.852 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 81' ' ' VAL . 35.3 m-20 -59.89 102.58 0.16 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.552 0.533 . . . . 0.0 111.168 178.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.58 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.701 -178.704 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.59 -40.32 91.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.386 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.93 -43.67 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 109.889 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 77' ' ' ASP . 78.8 t -57.43 -46.31 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.455 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -53.21 -42.63 66.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 177.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.7 m -63.52 -54.32 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.51 -177.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -59.71 -36.75 77.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.78 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.437 ' O ' HG22 ' A' ' 89' ' ' VAL . 32.4 t -60.67 -50.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.689 0.28 . . . . 0.0 111.086 174.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.35 -31.23 65.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -178.033 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.54 -13.52 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.336 0.588 . . . . 0.0 110.753 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -107.55 -4.15 18.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.281 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 85' ' ' VAL . 87.2 t -84.02 111.58 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.757 174.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.2 175.26 7.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.89 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -85.19 153.1 22.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.438 -178.157 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -77.68 69.3 3.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.43 -179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -79.13 -19.48 51.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -77.68 -19.4 55.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.138 0.494 . . . . 0.0 110.334 178.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.09 25.39 14.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.621 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -140.19 122.65 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.888 -178.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.04 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.599 -172.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 70.2 m -62.4 -41.19 98.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.467 178.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -77.68 -29.46 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -177.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -66.12 -51.4 58.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.456 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.24 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.512 . . . . 0.0 110.583 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.6 t80 -67.95 -30.75 70.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 -178.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -64.35 -49.31 72.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.106 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.08 98.28 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.988 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.17 -46.55 80.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.755 0.312 . . . . 0.0 111.03 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.45 -41.51 88.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -176.134 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.57 -44.35 89.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.213 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -75.88 -46.5 29.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.143 -173.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.82 -24.41 67.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.57 -31.44 70.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.806 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -115.0 -30.4 6.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.343 -177.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -135.15 61.33 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -171.522 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -76.69 -29.61 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.248 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.6 t -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.774 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.9 tp -69.3 -31.42 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.218 -178.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.02 -42.38 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.015 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.8 -42.66 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.8 177.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.02 -29.25 65.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.355 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.559 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 47.5 t -56.72 -44.12 81.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.934 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.4 pt -94.97 -3.89 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.941 0.4 . . . . 0.0 111.409 -177.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -91.22 130.65 37.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.377 -177.706 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt 70.61 169.26 0.31 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.68 0.753 . . . . 0.0 111.866 176.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.921 175.219 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.532 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.933 0.396 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -122.88 100.03 6.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.193 0.521 . . . . 0.0 110.703 179.09 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -109.54 121.73 45.84 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.663 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.77 130.27 46.78 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.565 175.19 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.68 138.13 19.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.58 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m -80.74 101.53 9.37 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.386 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.7 p -80.21 179.57 7.59 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.458 177.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -52.91 -44.4 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 177.517 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.63 -42.79 97.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.107 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.07 -38.47 85.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.166 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.5 -30.25 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.61 -30.39 71.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.717 177.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 98.8 mtt180 -69.59 -58.39 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.045 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -59.19 -31.39 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.232 -176.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.504 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 39.1 mtt180 -54.47 -53.13 58.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.343 178.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -66.34 -42.07 88.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.507 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.9 mt-10 -60.61 -33.39 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.461 -178.651 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.8 m -83.68 -37.23 23.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.261 178.209 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -53.52 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -64.91 -23.21 67.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.757 -179.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.8 t -86.47 -47.3 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.289 . . . . 0.0 110.984 -177.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.59 12.3 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 55.19 37.25 28.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.487 -179.135 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.44 117.59 56.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.013 179.114 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -61.93 141.11 88.39 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.396 2.064 . . . . 0.0 111.47 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.583 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.17 -30.2 48.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.798 178.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -48.58 -49.74 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.296 175.329 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.7 m-85 -67.21 -38.87 86.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.61 177.39 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.66 -42.45 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.4 mt-10 -61.61 -35.78 78.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.153 0.502 . . . . 0.0 110.283 177.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 92.5 mttt -67.53 -47.06 71.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.751 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 14.1 m-85 -58.83 -36.13 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.431 . . . . 0.0 110.917 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -59.61 -40.68 88.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.909 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 50.7 pttt -92.77 23.04 4.35 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.8 m95 53.81 48.42 21.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.49 178.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.78 109.53 13.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -114.89 98.01 48.98 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.402 -176.511 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.84 142.25 92.81 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.483 2.122 . . . . 0.0 112.304 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.04 83.35 3.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.785 0.802 . . . . 0.0 109.817 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.7 t70 -149.11 148.17 29.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.155 -176.282 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.66 -22.17 65.07 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.893 -172.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.7 m -65.01 -55.64 17.77 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.399 0.619 . . . . 0.0 110.13 176.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.7 m -59.48 -33.55 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.148 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.6 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.42 -50.88 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.759 -173.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.88 -28.59 68.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.414 178.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.504 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 t80 -60.15 -50.51 73.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 110.181 174.806 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mm -60.26 -39.65 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.453 178.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -60.35 -54.75 41.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.429 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.8 t -55.98 -47.97 76.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.637 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -43.52 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.016 0.436 . . . . 0.0 110.943 -179.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.5 m-30 -65.7 -24.54 67.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -77.93 -43.61 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 177.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -69.2 -27.06 65.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.288 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 91.1 mtp -87.53 0.32 55.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.074 0.464 . . . . 0.0 110.75 177.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 55.02 46.94 23.2 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.514 -178.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -117.64 -14.05 10.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.044 -175.151 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.407 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 88.0 t80 -138.94 143.32 38.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.313 179.246 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 27.5 t70 -127.78 139.82 52.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.99 177.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.75 -26.85 66.02 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.033 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.425 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 43.8 m -93.58 -65.68 0.97 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.673 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.66 -146.09 22.2 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.732 -174.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 123.74 14.39 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.96 2.44 . . . . 0.0 112.017 177.012 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.46 93.27 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.951 -179.654 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.413 ' O ' HG21 ' A' ' 69' ' ' VAL . 73.8 t -51.67 -45.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.519 -174.074 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 29.9 t70 -59.0 -56.78 17.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.613 0.244 . . . . 0.0 111.159 -177.54 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.14 -33.65 73.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 0.0 110.624 179.008 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.95 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.377 179.33 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 65' ' ' VAL . 60.2 t -70.03 -42.67 79.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.651 177.558 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.467 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 35.2 m-70 -58.33 -33.16 69.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.859 0.361 . . . . 0.0 111.211 178.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -85.57 -60.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -178.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 74' ' ' HIS . 91.7 mt -64.15 -42.17 96.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.615 -173.325 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.72 35.18 0.09 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 72' ' ' LEU . 60.5 t-80 -61.66 88.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.16 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.03 33.55 32.66 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.577 179.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -145.56 169.52 18.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.416 0.15 . . . . 0.0 110.937 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.19 105.66 0.3 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.997 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.23 73.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.333 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.8 -46.4 82.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.57 -48.09 82.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.205 0.526 . . . . 0.0 110.047 177.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.4 -48.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.344 179.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -55.06 -45.23 75.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.485 177.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -63.54 -47.02 83.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.787 -177.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.49 -42.87 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.395 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 89' ' ' VAL . 36.4 t -58.07 -52.35 59.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.239 176.669 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.0 mt -58.45 -29.69 66.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.59 -20.16 63.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.55 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.3 m -104.65 -13.56 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.925 -179.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.6 t -69.86 124.25 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.541 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -141.53 168.24 20.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.662 -176.522 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -88.55 152.45 21.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.821 -175.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -81.43 67.08 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.503 0.668 . . . . 0.0 110.549 -177.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.3 p -78.11 -26.87 48.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.031 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -80.91 -13.23 59.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 -178.152 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.1 t30 66.09 40.16 4.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.634 169.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 171.448 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.108 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.2 m -61.92 -38.4 88.26 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.589 -0.444 . . . . 0.0 109.807 174.145 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -83.24 -24.71 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.329 -177.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -63.91 -53.8 44.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.745 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.63 87.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 177.29 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -68.09 -33.65 74.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.93 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -73.23 -37.05 66.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.21 -177.39 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.09 94.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.334 175.235 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -64.97 -49.16 71.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.545 -0.328 . . . . 0.0 110.933 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.105 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.53 -44.37 96.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.289 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -74.87 -48.37 25.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.935 -173.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -19.17 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.482 -178.69 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.18 -30.51 70.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.485 . . . . 0.0 110.447 178.106 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.97 -34.61 5.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.286 -175.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -134.83 68.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.708 -171.167 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.29 -33.45 20.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 111.448 -177.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 m -66.15 -31.3 72.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -178.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.89 -35.8 81.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.264 0.554 . . . . 0.0 109.786 174.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.61 -42.04 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.129 179.526 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.81 -40.11 94.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.718 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.92 -33.66 66.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.141 -178.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 88.9 p -62.08 -38.2 87.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.578 -177.137 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.6 pt -92.05 1.16 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 111.199 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -89.96 123.68 34.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.72 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -74.11 142.1 45.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.703 178.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.249 1.06 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.798 -178.557 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.504 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 121.311 0.577 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.45 135.37 38.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.206 -176.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.3 113.71 6.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.42 0.628 . . . . 0.0 110.944 -178.372 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 p -98.39 119.14 36.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.675 177.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.661 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -86.38 150.94 3.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.602 -178.165 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p -70.82 90.29 0.79 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.589 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.3 p -67.01 176.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.848 -174.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -55.23 -41.77 72.53 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 176.147 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.186 178.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.43 -40.01 96.03 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.996 0.426 . . . . 0.0 110.001 176.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 67.1 tp -62.93 -35.04 78.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.506 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 98.3 mt-30 -67.01 -19.26 65.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.571 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -75.29 -42.99 53.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.513 178.019 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.84 -21.33 57.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HG3' ' HA ' ' A' ' 12' ' ' GLN . 13.1 mmm180 -50.27 -65.87 0.49 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.787 172.668 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -53.95 -48.68 70.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.212 -178.033 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -54.15 39.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.036 0.446 . . . . 0.0 110.887 -178.048 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.13 -32.33 66.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -177.589 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -66.78 -53.48 34.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.682 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -63.84 -38.96 93.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.361 -177.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.4 m -75.47 -44.68 42.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -176.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.33 8.11 19.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -177.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 56.14 33.99 23.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.511 178.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -62.48 122.51 74.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -59.74 139.88 90.72 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.605 2.204 . . . . 0.0 111.545 177.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -33.46 62.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.731 -177.188 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.17 -52.21 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 176.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -58.3 -38.88 77.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 177.149 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.72 -48.02 84.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.4 mt-10 -62.78 -36.86 84.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.387 0.613 . . . . 0.0 110.019 178.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.11 -37.66 69.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.377 -176.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.06 -31.95 73.13 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.228 0.537 . . . . 0.0 110.022 175.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.115 178.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -89.39 21.43 3.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.075 178.731 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.7 m95 51.64 41.91 29.24 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.242 -176.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.438 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 61.4 mt-10 -104.41 109.83 21.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.647 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -119.34 85.4 31.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.433 -179.088 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -63.1 155.02 63.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.906 2.404 . . . . 0.0 112.209 175.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.84 81.58 5.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.945 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.59 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.5 t70 -145.8 143.56 29.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.224 -177.316 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.03 -30.49 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.669 -174.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.0 m -60.51 -56.34 22.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.169 0.509 . . . . 0.0 110.359 177.13 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -56.08 -36.9 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.044 176.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.59 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -67.29 -47.45 70.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.417 -176.086 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.75 -31.98 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.485 ' HH ' ' C1 ' ' A' ' 201' ' ' ACD . 37.3 t80 -60.85 -50.15 74.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.223 175.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.02 -40.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 14.4 tmtt? -60.2 -52.67 64.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.473 -179.154 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.74 -48.14 82.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.685 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.3 -47.94 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.867 0.365 . . . . 0.0 111.407 -177.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.415 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -63.09 -28.96 70.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 110.668 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.59 -42.87 61.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.498 177.651 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -72.1 -23.6 61.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.243 -176.649 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -89.0 5.16 45.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.306 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.53 41.18 26.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.435 -178.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mt -119.13 -17.1 9.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 -174.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.0 t80 -139.73 137.64 35.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.953 179.194 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.0 t70 -121.81 142.58 50.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.112 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.79 -12.45 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.789 0.328 . . . . 0.0 111.188 -173.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.423 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 19.0 m -98.55 -62.12 1.28 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.008 177.45 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.66 -27.0 61.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.515 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 -152.56 20.8 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.849 -174.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.09 124.51 16.38 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.952 2.435 . . . . 0.0 111.624 176.143 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -82.99 85.49 7.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.5 t -49.38 -42.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.307 -174.662 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.01 -54.45 46.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.297 -177.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.4 -34.34 77.96 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 177.675 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.46 -45.3 94.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.45 -179.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.7 t -68.66 -42.21 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 110.605 177.616 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -60.93 -28.42 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.29 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.661 ' OE1' ' HB ' ' A' ' 5' ' ' VAL . 5.9 tp60 -90.26 -58.5 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.408 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.649 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 98.7 mt -64.85 -36.18 83.51 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -174.238 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.74 33.91 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.813 178.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 72' ' ' LEU . 39.7 t-80 -70.83 79.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.986 178.856 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.55 27.27 8.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.244 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -145.87 163.59 34.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.5 . . . . 0.0 111.58 -179.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.13 110.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.732 177.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.73 74.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.123 -176.332 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.32 -45.89 91.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.337 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -61.26 -46.75 89.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.086 0.469 . . . . 0.0 110.369 176.398 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -59.24 -50.02 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.709 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -56.7 -44.2 81.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.714 0.292 . . . . 0.0 110.676 179.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -63.3 -51.77 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.63 -37.86 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.488 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 89' ' ' VAL . 30.9 t -61.61 -50.89 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.711 174.217 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.63 -32.67 69.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.756 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -17.26 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 110.759 177.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.38 -14.58 16.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.374 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 85' ' ' VAL . 65.1 t -79.09 120.44 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.541 174.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -145.77 -179.35 6.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.081 178.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -77.04 157.63 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.259 0.552 . . . . 0.0 111.338 -174.085 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -79.23 72.0 5.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.509 179.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.6 p -78.1 -19.3 54.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.482 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.11 -17.08 57.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 61.23 20.99 11.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.724 -179.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -141.25 127.26 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.38 -34.75 78.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.276 -173.562 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 64.3 m -62.85 -39.47 94.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 109.988 176.404 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -75.41 -32.2 60.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.049 -178.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -69.98 -52.07 27.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.662 -176.135 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.89 -36.25 82.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.323 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.44 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 68.4 t80 -70.46 -27.85 64.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.588 -179.316 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -68.56 -42.12 78.79 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.76 -42.63 93.01 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.55 178.173 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.545 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 20.6 t80 -65.04 -46.35 81.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.6 -179.249 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -55.35 -54.38 44.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.54 -41.37 80.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.785 -176.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.54 ' CZ ' HD12 ' A' ' 72' ' ' LEU . 30.7 t80 -76.93 -47.0 22.23 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.624 -173.21 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 105' ' ' PHE . 6.1 pt20 -66.28 -21.85 66.29 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.969 0.414 . . . . 0.0 110.767 -177.838 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.41 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 1.5 tmtp? -63.71 -30.6 71.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.004 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -110.55 -30.61 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.5 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.51 ' O ' HG13 ' A' ' 116' ' ' ILE . 89.0 m-20 -137.0 66.12 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.209 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.2 tp -82.9 -36.8 25.01 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.925 178.611 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.0 m -63.72 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.778 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.9 tp -66.53 -37.32 84.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.377 177.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 112' ' ' ASN . 65.4 mt -62.16 -42.89 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.008 179.155 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.92 -32.03 73.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.829 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.83 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.646 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.649 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 19.5 m -61.98 -40.38 95.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.234 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.4 pt -90.84 4.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.282 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -79.56 134.82 36.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.045 0.45 . . . . 0.0 110.853 -178.019 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.523 ' HD3' ' H ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -100.08 96.14 7.31 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.655 177.751 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 . . . . . 0 C--O 1.245 0.848 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.067 178.041 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.485 ' C1 ' ' HH ' ' A' ' 46' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.559 0.218 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -101.22 121.34 41.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 0.0 110.431 177.524 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -74.08 112.38 10.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.46 -178.255 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.19 131.22 44.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.416 0.626 . . . . 0.0 110.832 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.14 159.29 8.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.632 176.69 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 p -93.54 95.68 9.39 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 -178.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.2 p -76.82 -179.88 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 m -58.64 -38.92 79.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.008 0.433 . . . . 0.0 110.586 177.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' HA ' HE21 ' A' ' 12' ' ' GLN . 1.6 mp0 -60.73 -46.35 90.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.752 177.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.63 -40.94 98.57 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.975 0.417 . . . . 0.0 110.081 177.065 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.529 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.5 tp -59.15 -42.37 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.416 -176.642 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 9' ' ' GLU . 50.5 mt-30 -60.11 -34.22 73.19 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.187 0.518 . . . . 0.0 110.892 -178.178 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.5 ttp-105 -65.04 -44.25 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.647 178.491 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -73.1 -34.93 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.816 -174.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 8.5 mtm180 -63.8 -39.44 94.24 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.441 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -59.24 -50.5 73.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.279 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.8 mm-40 -64.28 -44.14 92.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.52 -52.11 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.914 0.388 . . . . 0.0 110.613 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 p -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.563 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.7 t -72.43 -45.96 57.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.695 0.283 . . . . 0.0 110.94 -177.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.71 6.85 29.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.382 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 m120 54.51 35.57 23.7 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.793 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.2 mm -63.79 123.15 80.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.297 178.487 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -62.84 137.4 62.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.514 2.142 . . . . 0.0 111.437 177.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.6 -32.62 59.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.949 -172.784 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.09 -44.84 91.96 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.002 0.189 . . . . 0.0 111.261 -178.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.6 m-85 -60.12 -42.54 95.0 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-O 120.792 0.33 . . . . 0.0 110.726 174.509 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.74 -46.74 86.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.747 -175.085 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.7 mt-10 -63.35 -37.51 87.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.201 178.467 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -23.88 58.99 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.931 -174.27 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 23.3 m-85 -69.28 -32.54 71.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 177.318 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -70.38 -19.15 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.716 -178.275 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -86.37 9.73 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.169 175.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.438 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 99.5 m95 60.68 45.16 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.989 -178.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.66 109.89 13.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.196 176.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -114.27 96.04 41.21 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.575 -176.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.05 146.05 98.2 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.742 2.295 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.46 81.01 5.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.614 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.589 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -146.62 146.51 30.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.34 -175.353 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -48.28 -42.91 32.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.432 0.458 . . . . 0.0 111.925 -176.244 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.5 m -52.52 -58.32 7.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.376 -178.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.7 m -59.84 -33.15 71.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.337 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.589 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.84 -52.95 30.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.961 -173.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.2 m -63.96 -30.6 71.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.292 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -61.46 -50.36 73.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.4 mm -59.14 -40.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.948 178.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -49.11 74.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 t -58.29 -47.53 83.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.504 177.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.9 -48.91 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 121.058 0.456 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.418 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-30 -63.89 -26.39 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.787 -178.415 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -76.71 -40.05 49.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.307 -179.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -75.51 -19.39 59.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.246 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.0 7.72 36.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.487 178.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 55.48 40.85 31.29 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.182 -178.405 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -120.61 -20.96 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.477 0.656 . . . . 0.0 110.966 -174.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 62.8 t80 -140.02 133.98 30.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.078 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.24 133.31 46.0 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 177.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.79 -21.09 60.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.775 -173.504 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -110.36 -53.67 2.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.92 -0.45 54.24 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.69 -155.87 35.97 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.836 172.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -61.21 129.29 27.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.048 2.499 . . . . 0.0 111.798 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.5 mt -94.22 92.08 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.356 0.598 . . . . 0.0 109.431 178.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 69' ' ' VAL . 84.0 t -50.62 -44.31 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.768 -172.355 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 7.7 m-20 -57.98 -54.49 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -177.388 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.06 -35.36 78.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.607 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.407 HD23 H162 ' A' ' 201' ' ' ACD . 17.4 mt -60.56 -43.8 96.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.537 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 65' ' ' VAL . 60.7 t -69.63 -40.33 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.841 178.566 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.436 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 59.8 m-70 -60.71 -31.04 70.34 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.225 178.59 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -88.21 -54.86 3.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 -177.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.62 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 96.2 mt -69.03 -48.23 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.102 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.69 33.4 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.633 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -73.46 104.91 4.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.057 -0.402 . . . . 0.0 110.212 175.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.48 17.64 54.49 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.542 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -145.98 165.37 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.724 0.297 . . . . 0.0 111.459 -178.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.76 109.46 1.43 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.501 179.144 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.31 -34.13 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.309 178.346 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.27 -48.85 79.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.236 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 7.2 mm-40 -69.29 -44.86 70.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.6 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.84 -48.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.224 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -57.86 -42.14 83.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.88 0.372 . . . . 0.0 110.589 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -61.77 -53.8 51.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 36.8 mt-10 -58.84 -41.02 85.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.414 178.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 89' ' ' VAL . 28.8 t -57.9 -49.49 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 175.286 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.14 -29.76 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.905 -178.338 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.04 -16.9 62.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 110.447 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.5 m -103.9 -14.54 15.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.441 -179.494 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 85' ' ' VAL . 89.4 t -74.61 128.97 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.775 174.628 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.99 163.47 29.15 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.95 -178.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -78.29 157.22 29.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.197 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -81.55 59.19 4.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.469 0.652 . . . . 0.0 110.529 -178.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.0 p -77.69 -14.86 59.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.067 175.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.419 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 20.6 t70 -77.65 -21.68 51.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.045 178.574 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 61.0 26.49 16.45 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.759 177.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.412 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 19.3 t-20 -146.67 122.49 10.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.142 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.222 -174.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 65.0 m -64.11 -47.87 78.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.663 0.268 . . . . 0.0 110.917 -178.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.567 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 8.1 t-160 -78.75 -25.92 44.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -176.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -64.5 -56.56 13.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 178.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.11 83.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.161 0.505 . . . . 0.0 110.464 179.269 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 69.9 t80 -67.45 -32.44 73.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.961 -178.712 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 51.9 mtm180 -67.22 -41.14 86.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 179.076 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.417 ' O ' H192 ' A' ' 201' ' ' ACD . . . -64.99 -47.05 86.89 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.554 178.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.82 -46.71 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.455 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -59.14 -47.08 86.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.109 -177.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.6 t -58.97 -43.07 91.3 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.041 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.473 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.7 t80 -74.53 -49.83 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.886 -174.613 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -16.94 64.36 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.685 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -69.36 -30.19 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.857 0.361 . . . . 0.0 110.176 177.705 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -115.05 -28.65 6.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.601 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -135.75 68.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.193 -172.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.3 tp -88.89 -33.56 17.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.504 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -64.34 -33.74 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.996 0.427 . . . . 0.0 110.102 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.3 tp -63.91 -40.01 95.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.029 176.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -42.97 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.788 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 96.5 mttt -62.01 -40.86 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 178.33 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.37 -29.32 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.834 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.62 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 49.2 m -60.06 -39.18 85.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.818 -178.411 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.8 pt -91.9 -5.43 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -90.55 122.18 33.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.415 -177.542 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -114.87 78.81 1.19 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.407 0.622 . . . . 0.0 110.248 177.681 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.945 -179.237 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.417 H192 ' O ' ' A' ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 63.55 84.34 0.15 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.556 0.535 . . . . 0.0 110.515 -177.271 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.85 121.15 15.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.581 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.4 133.27 52.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.393 177.604 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.67 145.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.451 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -67.07 121.93 16.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.97 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.5 p -110.26 176.65 4.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.615 -176.191 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.534 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 35.6 m -58.36 -57.69 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -176.791 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.95 -38.83 87.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -36.45 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.039 0.447 . . . . 0.0 110.145 179.488 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.67 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 52.8 tp -59.19 -39.19 81.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.515 172.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 8' ' ' THR . 16.0 mm100 -55.09 -32.61 62.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.183 0.516 . . . . 0.0 111.47 -178.099 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.593 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.0 ttt180 -68.5 -46.41 69.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.468 -178.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 36.1 m-85 -67.02 -38.36 85.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.996 -177.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.67 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.2 mtp180 -58.29 -45.68 87.48 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -59.05 -51.4 70.22 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.873 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.2 mm-40 -58.59 -41.12 85.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' SG ' HG13 ' A' ' 50' ' ' VAL . 95.2 m -70.4 -30.09 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.331 . . . . 0.0 110.984 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.07 -51.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.283 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 t -66.69 -36.0 81.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.281 -179.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 t -72.46 -49.68 31.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.712 0.292 . . . . 0.0 111.335 -176.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -87.54 6.49 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.385 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 55.66 39.87 30.91 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.199 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.5 mm -62.51 124.73 83.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.664 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -61.8 141.26 89.63 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.84 2.36 . . . . 0.0 111.28 177.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -53.32 -34.96 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.378 -175.584 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.03 -51.11 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.277 0.361 . . . . 0.0 111.246 179.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -56.88 -42.72 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.924 176.643 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.7 t -58.12 -45.82 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.419 -177.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.572 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.6 mt-10 -65.78 -35.89 81.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 110.281 178.075 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HG3' ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -74.87 -27.12 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.104 -174.671 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -69.2 -22.04 63.92 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.39 . . . . 0.0 110.49 178.124 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.16 -27.4 65.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.924 0.392 . . . . 0.0 110.229 178.348 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -96.98 24.6 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.288 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 51.0 42.31 28.28 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.239 -179.515 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.464 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 38.7 mt-10 -108.23 112.89 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.276 176.335 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.33 90.26 41.83 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' ' HG1' ' A' ' 43' ' ' THR . 51.7 Cg_exo -57.93 144.21 94.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.777 2.318 . . . . 0.0 112.723 177.537 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -86.84 77.72 9.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.665 -178.357 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.534 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.6 OUTLIER -154.34 165.75 35.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.915 179.096 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.31 -42.85 15.28 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -53.64 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.105 0.479 . . . . 0.0 111.631 -174.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' HG1' ' HD2' ' A' ' 38' ' ' PRO . 11.7 m -61.12 -33.94 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.585 -178.839 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.8 mtt -64.54 -54.24 35.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.69 -174.007 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.6 m -67.87 -28.87 67.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 50' ' ' VAL . 41.1 t80 -60.07 -52.23 66.25 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.297 176.481 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.27 -42.69 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.907 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -178.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -57.44 -50.05 74.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.134 -178.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 HG13 ' SG ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER -70.35 -30.04 41.51 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.335 -175.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.505 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-85 -71.72 -29.97 65.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.641 179.398 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -72.84 -41.32 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.01 175.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 66.1 mttm -71.12 -29.96 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.229 -178.658 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.0 mtp -84.93 1.16 48.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.381 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 57.58 44.21 21.34 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD11 ' HG2' ' A' ' 71' ' ' GLN . 5.8 mt -118.63 -22.3 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.004 -175.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 72.3 t80 -133.67 132.66 40.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.108 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -101.78 132.16 47.68 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.7 -16.62 63.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -171.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.9 m -103.56 -60.37 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.153 178.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -79.59 -8.56 59.26 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -174.187 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.21 -153.83 26.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.308 -0.949 . . . . 0.0 113.204 177.329 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -60.19 124.48 15.32 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.042 2.495 . . . . 0.0 111.951 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 mt -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 69' ' ' VAL . 83.3 t -51.87 -43.94 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.589 -173.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.35 -49.46 77.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.627 0.251 . . . . 0.0 111.378 -177.432 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -66.29 -37.06 84.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 178.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD23 H162 ' A' ' 201' ' ' ACD . 19.2 mt -60.12 -45.69 92.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.255 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -68.74 -44.7 82.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.122 178.639 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -62.22 -26.98 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 111.15 179.097 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' HG2' HD11 ' A' ' 56' ' ' LEU . 32.5 tp60 -82.28 -60.79 2.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.247 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.07 -49.63 66.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.493 -177.114 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.22 33.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -175.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.406 ' NE2' ' HA ' ' A' ' 119' ' ' SER . 1.7 p80 -73.39 82.8 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.135 0.969 . . . . 0.0 110.472 -178.782 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.97 26.71 7.77 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.447 -174.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -141.86 169.71 17.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.53 104.51 0.81 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.358 0.599 . . . . 0.0 111.427 178.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.75 67.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.206 178.672 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.97 -43.26 96.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.13 -178.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -71.08 -46.22 62.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.193 0.52 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.32 -46.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.746 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.76 -44.52 86.19 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.652 177.385 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 m -59.39 -49.61 77.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.0 -45.55 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 178.178 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.452 ' O ' HG21 ' A' ' 89' ' ' VAL . 38.8 t -56.43 -49.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 177.637 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.17 -31.63 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.665 -177.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.26 -22.36 66.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 0.0 110.468 178.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.4 m -104.39 -13.4 16.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.329 -175.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 85' ' ' VAL . 98.7 t -70.82 113.33 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.985 0.422 . . . . 0.0 109.988 176.044 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -121.64 166.94 13.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.252 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -84.25 153.72 23.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.896 -177.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -79.78 73.81 6.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.586 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.3 p -87.21 -9.49 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.679 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.97 -19.55 25.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 178.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.89 20.63 12.17 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.77 -176.468 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.86 118.78 20.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.725 -178.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.13 -34.51 77.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.099 -172.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.47 -45.5 93.98 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.957 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -76.65 -24.97 53.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.174 -176.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -69.13 -54.41 15.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.63 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.2 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.281 0.562 . . . . 0.0 110.399 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.65 -30.86 71.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.539 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -66.16 -46.34 77.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.854 0.359 . . . . 0.0 110.435 178.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.14 -46.37 94.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.906 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.43 -47.17 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.732 0.301 . . . . 0.0 111.024 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -60.68 -45.48 93.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.201 -177.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.32 -43.99 97.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.23 -46.73 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.921 -173.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -67.63 -18.32 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.333 . . . . 0.0 111.527 -177.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -70.29 -26.12 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.93 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -123.21 -29.65 3.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.821 -175.224 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -133.49 63.71 1.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.158 0.504 . . . . 0.0 110.953 -173.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.37 -25.34 29.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 -178.715 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.0 m -64.92 -39.08 92.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.567 179.367 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.2 -33.02 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.034 0.445 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.55 -45.09 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.977 178.264 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.42 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 177.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.2 73.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.731 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.406 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 20.6 t -63.5 -40.2 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.415 -178.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.9 pt -98.57 6.13 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.622 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -74.64 129.27 37.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 111.329 -177.011 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -127.82 136.28 51.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.601 176.283 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.038 178.823 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.445 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.784 0.326 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -86.12 103.41 14.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.79 117.25 5.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.342 0.591 . . . . 0.0 110.085 -179.624 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.18 123.68 42.37 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.333 -177.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.42 ' HB ' HE21 ' A' ' 71' ' ' GLN . 0.9 OUTLIER -87.61 144.72 8.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.418 -177.208 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -81.54 102.95 10.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.059 -178.109 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.7 p -82.42 -179.75 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -57.03 -40.03 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 110.446 178.207 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -58.34 -42.55 87.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.964 178.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -76.18 -38.87 56.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 -177.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.695 -175.032 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -69.69 -23.63 63.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 110.719 -177.842 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.1 -53.54 24.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.115 177.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -66.16 -38.69 88.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.159 0.504 . . . . 0.0 110.743 -178.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.494 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.1 OUTLIER -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.681 -179.374 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -60.86 -50.65 72.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.091 176.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HB2' ' HE3' ' A' ' 53' ' ' LYS . 6.5 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.667 -176.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.45 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 99.8 m -65.62 -33.18 75.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.3 -50.87 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 CA-C-O 121.09 0.471 . . . . 0.0 110.077 178.007 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -62.0 -44.93 95.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.456 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 t -69.58 -48.63 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.704 -175.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.76 8.57 11.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 -175.168 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 55.54 37.43 28.87 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.782 0.676 . . . . 0.0 111.349 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.32 122.6 82.34 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.97 143.64 91.51 Favored 'Trans proline' 0 C--O 1.237 0.456 0 C-N-CA 122.735 2.29 . . . . 0.0 111.543 176.3 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.15 -31.22 61.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.11 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.25 -54.3 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.571 175.724 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 44.1 m-85 -64.36 -36.98 85.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.678 179.012 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.67 -44.33 76.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.648 -178.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 9.0 mt-10 -64.62 -36.85 85.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.512 179.335 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.7 -46.58 81.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.774 -178.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 13.6 m-85 -58.58 -41.22 85.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -61.38 -33.48 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.714 -178.172 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -88.92 17.93 5.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.9 m95 55.54 49.52 16.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.611 -177.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -126.82 109.43 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.572 176.694 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -115.73 98.52 51.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -175.325 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -62.79 147.68 94.37 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.97 2.447 . . . . 0.0 113.221 177.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.82 80.29 8.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.051 178.364 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -153.76 159.75 42.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -178.639 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.03 -45.08 51.78 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.077 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -53.38 -60.14 3.68 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.464 0.478 . . . . 0.0 111.386 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.7 m -59.84 -35.41 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.447 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 67.2 mtt -65.69 -53.16 44.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.593 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.45 -27.59 66.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.678 -179.212 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -60.89 -49.85 75.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.25 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.48 -37.72 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.668 178.514 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.4 tmmm? -61.55 -54.32 44.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.367 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.44 -49.14 73.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.579 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.95 -47.7 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 121.164 0.507 . . . . 0.0 110.792 -177.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -67.4 -25.39 65.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.106 -177.633 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -79.67 -39.9 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 mttm -67.8 -33.48 74.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.603 179.264 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.8 mtp -84.8 9.88 12.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.505 -179.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 55.8 43.91 26.94 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.61 177.492 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 mt -122.56 -17.61 6.91 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.409 -174.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -142.95 140.28 31.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 178.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -124.11 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.118 178.079 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.16 -17.99 65.07 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.9 m -100.36 -62.48 1.24 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.488 -179.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.22 -15.26 58.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -175.437 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.11 -151.27 28.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.376 -178.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -62.61 123.98 13.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.996 2.464 . . . . 0.0 111.847 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -83.41 95.14 8.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 69' ' ' VAL . 83.3 t -50.08 -45.91 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.646 -174.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.3 -51.58 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.756 0.313 . . . . 0.0 111.109 -177.345 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -58.44 -37.83 76.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.194 0.521 . . . . 0.0 110.303 177.51 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 15.4 mt -61.91 -40.49 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.38 -179.019 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 65' ' ' VAL . 62.0 t -71.68 -40.99 71.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.53 177.451 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -60.12 -29.83 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.661 179.411 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.42 HE21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -90.49 -60.35 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.691 -179.304 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' A' ' 74' ' ' HIS . 86.3 mt -61.82 -40.45 95.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -174.03 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.76 33.77 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.07 0.462 . . . . 0.0 111.888 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.512 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.6 t-80 -70.77 79.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.793 177.761 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 30.57 6.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.743 179.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -154.01 169.3 23.83 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 111.265 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 81' ' ' VAL . 14.1 m-20 -64.87 110.93 2.6 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.984 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.97 -39.11 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.52 -177.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -43.47 98.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 0.0 111.286 -178.307 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.57 -45.26 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 77' ' ' ASP . 95.2 t -57.65 -49.02 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.334 178.251 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -56.45 -44.06 80.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -60.67 -52.61 64.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.245 -177.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -56.89 -42.0 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 89' ' ' VAL . 40.8 t -61.0 -50.09 82.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.35 177.525 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.04 -32.73 64.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.119 -176.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -77.94 -4.69 48.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 111.033 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 32.9 m -112.88 -7.12 13.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.408 175.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 85' ' ' VAL . 91.4 t -89.3 102.77 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.008 175.718 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -124.51 179.4 4.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.513 179.035 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -77.77 153.37 32.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.0 111.891 -175.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.432 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 50.6 t30 -78.86 75.84 5.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.194 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -83.16 -21.12 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.691 -175.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.573 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 7.4 p-10 -86.8 -13.46 45.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.33 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 65.08 25.39 12.53 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.253 174.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -133.04 112.36 11.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.297 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.88 -29.96 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.297 -175.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.7 m -66.64 -38.95 87.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 110.847 178.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.573 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 7.0 t-160 -84.32 -28.4 27.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -176.093 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.432 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -63.79 -52.82 58.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.097 177.633 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.87 88.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 177.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -67.77 -33.86 75.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.959 -179.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -73.56 -39.82 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.256 -178.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.492 ' O ' H192 ' A' ' 201' ' ' ACD . . . -63.27 -45.43 95.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.458 177.055 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -65.84 -46.5 78.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.376 -0.412 . . . . 0.0 111.034 -179.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -69.03 -34.86 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 -175.275 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.613 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -73.15 -50.8 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -174.241 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -19.55 64.7 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.08 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -68.43 -29.84 68.6 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.514 -179.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.45 -29.92 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -176.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -135.72 68.82 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 0.0 111.368 -172.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.1 tp -85.2 -32.2 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -62.36 -35.57 79.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 -178.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.02 -36.07 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 177.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -40.13 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.291 0.567 . . . . 0.0 110.121 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -64.23 -47.24 80.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.765 177.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.47 -28.77 68.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.525 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 16.8 t -59.82 -44.62 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.36 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.9 pt -95.24 -1.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.945 0.403 . . . . 0.0 111.218 -178.86 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -90.21 119.76 30.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.59 -178.681 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -87.79 90.18 8.28 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.167 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.64 -179.361 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.494 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ttt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.611 0.243 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -89.7 110.46 21.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.284 0.564 . . . . 0.0 110.115 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -96.58 137.2 36.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.701 179.039 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.07 109.83 22.52 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.677 -178.254 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.66 148.02 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.51 178.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -72.93 96.63 2.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.373 178.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.6 p -79.97 179.38 7.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.423 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -54.6 -41.54 70.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.93 178.294 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.92 -44.86 91.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.927 -179.024 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 109.875 178.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.611 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 64.1 tp -58.44 -38.6 77.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.71 -26.86 68.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -176.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -77.85 -41.67 36.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.912 179.65 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -67.91 -28.54 67.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.283 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 27.7 mtp180 -59.25 -53.72 55.09 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.525 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -57.14 -49.09 77.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.538 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -71.77 -33.26 68.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.148 178.695 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.33 -52.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 110.365 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 t -64.53 -36.83 85.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.562 -178.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.9 m -73.31 -45.42 55.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.388 -177.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.94 6.94 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -176.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 57.34 34.53 24.84 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.72 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.1 mm -64.14 122.05 75.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.77 143.43 99.39 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.944 2.429 . . . . 0.0 111.978 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -30.0 57.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.794 -178.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.81 -54.34 24.48 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.563 0.539 . . . . 0.0 111.396 177.221 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 56.8 m-85 -61.82 -36.56 81.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.43 179.175 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.46 -43.81 87.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.481 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.1 mt-10 -59.9 -36.39 76.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.3 178.45 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.96 -46.47 71.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.046 -179.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.7 m-85 -58.68 -34.07 70.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.15 -24.27 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 0.0 110.623 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -105.52 17.12 24.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.368 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.7 m95 53.87 41.52 32.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.285 -177.212 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -110.86 113.15 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.132 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.64 93.73 34.12 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.291 -177.468 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.74 145.07 91.73 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.588 2.192 . . . . 0.0 112.602 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -79.04 78.49 5.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.189 0.995 . . . . 0.0 109.606 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.652 ' O ' ' HG3' ' A' ' 44' ' ' MET . 14.5 t70 -143.98 145.52 32.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.077 -175.211 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.2 -28.8 65.14 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.562 0.539 . . . . 0.0 111.348 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -59.43 -57.34 13.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.052 0.454 . . . . 0.0 110.64 176.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.8 m -59.04 -34.17 71.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.155 178.035 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.652 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.4 mtt -67.18 -47.04 72.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.57 -174.092 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.05 -49.43 77.93 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.264 176.313 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.02 -39.83 83.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.832 178.181 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -61.0 -50.11 74.72 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.331 -179.237 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.9 t -59.31 -47.93 83.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.7 t -61.4 -47.19 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.502 . . . . 0.0 111.015 -177.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -63.37 -27.92 69.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.689 179.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -79.29 -39.88 31.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.994 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -68.76 -27.02 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.617 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.54 8.89 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.601 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 54.75 48.57 19.89 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -124.87 -17.38 5.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.195 -176.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -139.18 144.13 38.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.507 178.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -123.26 137.79 54.78 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.61 -12.83 61.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.0 m -103.5 -63.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 111.568 177.035 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.43 -8.98 58.58 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -174.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.93 -144.27 27.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.342 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.64 123.72 10.42 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.392 2.062 . . . . 0.0 111.764 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.2 mt -83.16 90.83 7.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.767 -178.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.4 t -49.32 -43.98 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.823 -1.081 . . . . 0.0 112.78 -174.369 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.53 -49.93 73.38 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -176.36 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.02 -35.48 80.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.987 0.423 . . . . 0.0 110.326 177.305 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.9 -48.98 79.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.281 179.638 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.18 -38.78 78.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 177.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -57.49 -34.67 69.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.765 178.355 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.61 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 7.9 tp60 -89.73 -56.32 3.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.525 -177.101 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 74' ' ' HIS . 94.8 mt -62.96 -43.21 99.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.378 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.11 34.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 72' ' ' LEU . 4.5 t60 -73.4 86.58 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.892 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 30.44 7.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 178.542 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -153.26 167.6 28.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 110.677 178.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.434 ' O ' HG21 ' A' ' 81' ' ' VAL . 3.2 m-20 -61.51 108.48 0.97 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.713 178.218 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.41 66.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.195 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.76 -52.55 64.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.118 178.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.66 -43.21 85.16 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.243 -178.566 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 77' ' ' ASP . 88.6 t -57.33 -48.86 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 178.052 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -55.82 -46.09 78.18 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 110.714 177.195 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -62.0 -49.62 75.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.21 -178.717 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.05 -43.59 91.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.667 178.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.481 ' O ' HG22 ' A' ' 89' ' ' VAL . 29.4 t -56.96 -48.88 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 175.87 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.33 -27.35 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.906 -177.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.96 -14.05 62.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 110.618 177.352 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 m -109.95 -11.1 14.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.734 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 85' ' ' VAL . 59.5 t -82.86 133.08 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.111 176.691 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -158.55 162.83 37.42 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.39 154.68 41.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.079 0.466 . . . . 0.0 111.277 -176.142 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -73.53 74.68 1.46 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.584 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.3 p -80.83 -23.21 39.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.416 ' CG ' ' HD1' ' A' ' 99' ' ' HIS . 17.0 t70 -77.27 -19.49 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.554 -177.727 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 65.54 22.6 11.79 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.506 178.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -139.06 114.28 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.321 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.65 70.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.929 -174.218 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -63.05 -42.16 99.66 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.611 178.151 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.416 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 16.7 t-160 -81.72 -24.72 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -62.78 -54.57 37.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.173 177.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.88 93.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.725 178.629 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.472 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.1 t80 -65.39 -33.59 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.817 -178.053 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -67.81 -37.52 82.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.668 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.08 -44.56 91.09 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.553 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -66.66 -48.83 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.24 . . . . 0.0 110.883 -179.379 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -60.5 -45.51 93.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -177.771 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.83 -44.53 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.091 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -75.62 -46.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.988 -174.075 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -69.77 -13.02 62.07 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.834 0.349 . . . . 0.0 111.562 -177.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.011 0.434 . . . . 0.0 110.32 178.061 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -113.87 -26.82 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.436 -173.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -132.94 61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.983 0.42 . . . . 0.0 110.935 -174.26 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.1 tp -83.02 -31.12 27.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.994 0.426 . . . . 0.0 111.108 -178.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -64.69 -35.1 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.088 -178.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 42.3 tp -66.9 -32.82 74.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 178.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.428 HG21 ' C9 ' ' A' ' 201' ' ' ACD . 81.8 mt -67.87 -41.13 84.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.186 178.096 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -66.76 -40.54 88.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.809 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -24.57 59.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.311 178.414 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.61 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 27.5 t -63.5 -45.1 92.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.399 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.99 -1.65 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.201 0.524 . . . . 0.0 111.303 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -87.32 121.6 29.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.949 -176.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -79.27 157.0 27.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.323 176.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.782 -0.628 . . . . 0.0 109.769 178.397 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 201' ' ' ACD . . . . . 0.593 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 120.657 0.265 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.8 p -82.16 -179.95 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.648 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -60.67 -35.76 77.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.991 0.424 . . . . 0.0 111.077 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -67.05 -37.28 83.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.245 0.545 . . . . 0.0 109.639 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 61.4 tp -63.92 -36.19 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.183 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -67.96 -21.44 65.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.073 0.463 . . . . 0.0 110.485 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 93.4 mtt180 -80.56 -55.29 4.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.28 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.02 -45.57 79.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.783 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.78 -36.19 83.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.077 -175.47 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.1 m -63.72 -48.99 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.9 mm-40 -63.67 -37.85 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.7 m -65.57 -35.73 81.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -52.98 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.664 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -67.18 -21.62 65.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.057 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.3 m -89.76 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.231 -0.293 . . . . 0.0 111.255 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.0 12.15 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.5 t30 55.4 35.26 24.66 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -66.72 121.75 78.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.61 138.61 81.09 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.817 2.345 . . . . 0.0 111.776 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.02 -32.78 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.261 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.13 -46.04 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.214 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -63.17 -38.49 91.39 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' HA ' ' CD2' ' A' ' 32' ' ' PHE . 48.8 t -60.83 -39.1 80.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.107 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 19.7 mm-40 -59.55 -40.47 87.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.358 175.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.84 -49.67 75.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.115 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.403 ' CD2' ' HA ' ' A' ' 29' ' ' VAL . 13.9 m-85 -57.45 -33.19 67.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.515 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.448 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -98.06 22.25 9.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.0 m95 50.69 47.29 24.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.311 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -119.81 109.32 15.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.852 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 36.8 m-85 -113.96 105.21 54.63 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.087 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 37' ' ' PHE . 56.0 Cg_endo -69.62 149.68 68.1 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.42 83.08 5.48 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.361 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.715 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -149.34 150.14 31.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.673 -175.431 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.906 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.4 m -64.46 -57.14 10.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 m -56.43 -33.87 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.284 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.1 mtt -66.17 -49.83 66.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.46 -29.89 70.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.415 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.8 -50.03 75.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.296 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.72 -38.93 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.915 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.371 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 23.7 t -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.194 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.94 -48.22 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.065 0.46 . . . . 0.0 110.976 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -64.57 -23.73 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.984 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -80.56 -41.91 23.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.234 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 1.4 mptm? -73.55 -18.09 61.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.1 mtp -89.33 -0.55 57.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.519 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 55.88 48.94 16.98 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mt -121.9 -16.13 7.67 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.119 -175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -140.79 142.32 34.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.443 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.6 t70 -125.33 146.66 49.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.698 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.62 -12.42 60.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.474 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.443 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 18.5 m -101.1 -63.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.582 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -77.0 -15.45 59.63 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.82 -138.12 19.69 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.863 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HG2' HG13 ' A' ' 89' ' ' VAL . 37.9 Cg_endo -67.28 124.3 11.95 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.351 2.034 . . . . 0.0 112.064 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.4 mt -82.96 91.41 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 69' ' ' VAL . 79.4 t -48.9 -46.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.378 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.03 -56.36 22.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.491 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.24 -32.59 74.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.355 . . . . 0.0 110.441 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.1 -49.38 77.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.04 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 65' ' ' VAL . 0.9 OUTLIER -76.04 -29.93 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.257 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.65 -28.77 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.141 0.496 . . . . 0.0 110.76 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -89.46 -59.59 2.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.861 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 91.6 mt -61.15 -42.79 99.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -71.18 33.2 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -176.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.3 t-80 -71.64 87.6 0.94 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.64 16.76 25.67 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.534 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HD2' HD13 ' A' ' 115' ' ' LEU . 61.4 mtt180 -144.06 162.67 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 81' ' ' VAL . 31.5 t70 -65.13 117.27 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.332 0.587 . . . . 0.0 111.142 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.42 74.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.301 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -65.38 -44.96 85.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 28.9 tt0 -65.16 -44.05 89.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.285 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 77' ' ' ASP . 85.0 t -56.98 -46.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.374 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 82' ' ' ARG . 25.3 ttt180 -53.83 -43.61 69.56 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 175.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 80' ' ' GLU . 17.6 m -60.43 -54.13 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 25.3 mt-10 -58.6 -40.42 83.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.558 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.1 t -59.88 -48.87 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.716 0.293 . . . . 0.0 111.055 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.6 mt -59.15 -28.76 66.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.559 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.97 -6.63 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.722 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m -118.23 -6.7 10.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.094 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 85' ' ' VAL . 86.9 t -81.47 125.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.933 0.397 . . . . 0.0 110.042 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -138.82 -177.02 4.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.843 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -100.4 152.77 19.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.048 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -80.14 64.02 4.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.7 t -73.62 -19.65 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.588 0.709 . . . . 0.0 110.604 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.47 -18.63 48.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.303 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 66.08 19.43 11.16 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.071 -0.968 . . . . 0.0 113.473 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.55 127.13 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 171.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.73 76.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.021 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 86.1 m -62.76 -39.44 94.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.053 0.454 . . . . 0.0 110.199 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -78.6 -27.24 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -64.65 -55.12 22.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 110.034 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.1 79.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.571 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.451 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.7 t80 -68.43 -33.0 73.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.943 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.57 -45.52 94.49 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.336 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.66 -47.93 76.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -63.17 -41.15 99.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.3 t -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.106 0.479 . . . . 0.0 111.132 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.8 -48.24 32.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.66 -27.98 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.731 0.3 . . . . 0.0 111.46 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.19 -14.57 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.889 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.1 -32.54 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.677 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -139.37 69.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.287 -174.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -85.31 -29.72 24.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.871 0.367 . . . . 0.0 110.755 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.8 t -63.73 -36.71 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.131 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.434 HD13 ' HD2' ' A' ' 76' ' ' ARG . 38.2 tp -65.75 -35.34 80.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.392 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.56 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.15 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.19 -36.9 80.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.846 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.33 65.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.1 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 96.7 p -62.64 -38.18 89.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.337 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.0 pt -90.41 -3.73 10.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.992 0.425 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.0 tttp . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -178.91 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.599 ' N ' HE22 ' A' ' 71' ' ' GLN . 17.9 m . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 p -86.22 -177.62 6.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -43.96 72.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.141 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.53 -47.02 83.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.269 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 13' ' ' ARG . 10.3 m-20 -67.65 -39.76 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 0.0 110.497 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.1 tp -62.36 -34.19 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.014 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.91 -35.05 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.586 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 55.7 ttt180 -59.82 -53.75 54.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.939 176.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -64.93 -29.69 70.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.789 -172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 34.9 mtt180 -60.4 -42.12 95.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.625 176.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -64.61 -46.68 81.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.384 -176.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.64 -37.76 88.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.653 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -77.46 -30.92 53.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.29 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.14 -51.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.117 0.484 . . . . 0.0 110.406 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 p -66.28 -37.33 85.2 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.581 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -71.68 -48.27 48.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.09 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.28 10.75 16.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.657 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 55.35 33.1 20.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.821 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.03 124.95 85.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.808 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -63.68 143.99 88.28 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.859 2.372 . . . . 0.0 111.755 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.848 -176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD2' ' HE2' ' A' ' 31' ' ' LYS . 29.0 t70 -54.04 -50.28 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 176.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 36.9 m-85 -60.83 -36.1 78.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.537 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.52 -44.63 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.235 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.6 mt-10 -61.98 -32.18 72.6 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.18 0.514 . . . . 0.0 110.462 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 66.4 mttm -66.96 -54.52 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.554 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 13.6 m-85 -57.14 -34.09 68.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.273 -176.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -59.88 -37.63 79.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -97.44 26.75 4.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.51 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.6 m95 55.66 40.27 30.93 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 31' ' ' LYS . 46.3 mt-10 -106.06 111.53 24.2 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -122.27 83.01 45.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.457 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -59.5 149.0 84.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.844 2.362 . . . . 0.0 112.401 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -76.05 79.11 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.796 0.808 . . . . 0.0 109.747 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.611 ' O ' ' HG3' ' A' ' 44' ' ' MET . 15.3 t70 -141.34 144.06 34.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.026 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.81 -25.89 66.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.62 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 m -64.63 -56.05 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 110.446 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.8 m -56.34 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.206 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.611 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -65.32 -53.24 46.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.7 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.09 -30.85 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.675 0.274 . . . . 0.0 110.282 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -59.67 -49.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.28 -38.78 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -62.16 -53.56 53.66 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.712 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.3 -49.94 68.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.61 -45.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.4 m-30 -63.92 -25.9 68.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -84.01 -36.36 23.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.069 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 6' ' ' SER . 8.4 mmm -88.23 0.59 55.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.919 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 53.45 53.86 11.0 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.321 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 68' ' ' LEU . 9.0 mt -127.11 -17.42 4.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.234 -175.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 81.4 t80 -140.59 134.99 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 23.5 t70 -120.53 144.62 47.95 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.0 -16.76 61.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.026 0.441 . . . . 0.0 111.371 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.437 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 25.3 m -97.9 -64.03 1.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.181 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -70.78 -24.24 62.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.626 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.37 -150.03 21.65 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.774 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.67 119.72 7.16 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.724 2.283 . . . . 0.0 111.53 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.58 87.17 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 76.6 t -48.77 -45.5 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.493 -174.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.61 -50.44 72.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.615 0.245 . . . . 0.0 111.32 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -65.49 -34.49 78.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.271 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 56' ' ' LEU . 17.9 mt -61.09 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.307 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 65.7 t -69.0 -36.54 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -66.33 -34.07 77.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.469 . . . . 0.0 111.109 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.599 HE22 ' N ' ' A' ' 6' ' ' SER . 7.3 tp-100 -82.24 -59.56 2.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.932 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 119' ' ' SER . 99.2 mt -63.67 -53.98 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -85.45 32.74 0.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -68.62 108.05 3.2 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.336 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.59 36.0 75.55 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -148.26 170.34 18.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.44 92.3 0.06 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.954 0.406 . . . . 0.0 111.368 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.14 74.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.428 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.12 -47.88 80.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.322 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.83 -45.44 82.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 73' ' ' ALA . 56.7 t -58.41 -51.95 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.553 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -54.97 -43.14 73.22 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.015 0.436 . . . . 0.0 110.685 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -60.24 -51.76 68.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.251 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -60.89 -40.36 92.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.881 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 89' ' ' VAL . 31.7 t -56.8 -48.35 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.2 mt -58.73 -29.53 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.219 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.97 -22.91 66.5 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.778 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -105.31 -10.19 17.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.925 -175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 85' ' ' VAL . 63.9 t -80.41 131.19 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.026 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.413 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 14.3 t70 -155.25 169.28 24.54 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -75.93 158.3 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.17 0.51 . . . . 0.0 111.276 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -73.87 71.77 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.915 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 p -87.93 -1.97 58.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.544 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.16 -21.72 29.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 62.27 19.05 10.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 122.026 0.917 . . . . 0.0 110.462 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -150.61 117.41 5.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.77 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.936 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.35 -44.62 95.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.792 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.503 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 23.3 t-80 -82.84 -23.83 33.57 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.568 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -66.87 -54.55 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.038 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.95 86.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.5 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.09 -31.71 72.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.615 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 90' ' ' ASP . 6.4 ttm180 -69.25 -42.2 75.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.33 -45.32 95.33 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.72 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -67.44 -45.26 76.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -64.79 -40.8 95.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.12 -41.39 99.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.27 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -76.05 -46.66 28.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.509 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.8 -21.55 66.5 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.702 0.286 . . . . 0.0 111.263 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.42 -35.92 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.802 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -119.72 -17.03 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.914 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -139.39 70.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.37 -32.43 17.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.2 m -63.24 -33.58 75.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.747 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.418 HD21 HG22 ' A' ' 81' ' ' VAL . 50.8 tp -67.85 -34.74 77.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.331 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.21 -43.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.992 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -62.25 -39.88 94.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.263 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.276 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.481 ' HB2' HD23 ' A' ' 72' ' ' LEU . 27.3 t -56.6 -47.48 79.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.548 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 45.4 pt -94.81 2.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.417 . . . . 0.0 111.377 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 -178.767 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -81.42 -176.5 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.45 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.4 m -55.83 -45.08 78.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.78 -42.32 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.95 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.72 -40.01 91.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 0.0 109.967 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 62.1 tp -61.8 -32.45 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.31 -37.41 87.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.536 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 47.0 ttt180 -60.31 -62.23 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.329 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -58.63 -39.13 79.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.693 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.889 0.376 . . . . 0.0 110.099 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -64.58 -50.41 67.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.14 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.644 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 14.8 mt-10 -60.81 -38.2 84.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.243 -178.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 98.0 m -70.26 -35.28 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.857 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.98 -52.93 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.269 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 t -65.33 -38.17 89.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.18 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 t -69.27 -49.19 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 0.0 111.128 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.38 7.31 23.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 55.93 42.74 28.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.407 0.622 . . . . 0.0 110.637 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mm -71.44 118.92 70.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.05 145.21 98.94 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.405 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.98 -30.58 61.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.008 -177.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -53.49 -55.24 27.01 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.0 m-85 -58.78 -39.9 82.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.239 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -56.51 -43.06 77.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.72 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.6 mt-10 -62.68 -42.95 99.9 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.81 -47.16 87.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.5 m-85 -57.95 -35.28 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.59 -35.64 81.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.56 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -89.3 21.51 3.26 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.868 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.3 m95 53.99 45.26 27.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.017 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -121.51 111.01 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -115.79 97.98 50.08 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.88 145.75 71.49 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.824 2.35 . . . . 0.0 112.758 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.44 78.58 7.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.678 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' A' ' 44' ' ' MET . 2.1 p30 -155.51 167.99 28.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.147 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -49.98 -46.47 52.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -171.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -56.44 15.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.048 0.451 . . . . 0.0 111.587 -175.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.427 HG23 ' CE2' ' A' ' 32' ' ' PHE . 25.6 m -62.43 -34.45 76.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.627 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.8 mtt -65.52 -49.28 69.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 97.1 m -69.17 -29.21 67.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.84 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -60.39 -51.62 68.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.442 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.4 mm -60.24 -39.16 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.562 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HE2' ' HB1' ' A' ' 97' ' ' ALA . 35.4 tttm -56.56 -55.64 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.591 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.1 t -57.82 -46.62 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.677 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.56 -46.09 95.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.415 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.953 -177.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.32 -40.71 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 47.4 mttm -66.51 -28.29 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.515 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 49.6 mtm -90.71 8.47 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 52.83 47.22 25.14 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.787 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.29 -14.87 9.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.375 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 71.4 t80 -142.0 139.53 32.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.362 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -122.92 142.85 50.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.12 -18.2 65.11 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -106.43 -62.01 1.45 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.806 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.09 -13.03 60.44 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.04 -146.28 31.94 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.402 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.48 124.53 16.33 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 111.973 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.4 mt -86.45 91.77 8.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.63 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 69' ' ' VAL . 87.5 t -51.21 -45.61 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.692 -1.14 . . . . 0.0 113.15 -171.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.92 -55.46 32.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.202 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.12 -33.53 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.356 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.76 -47.24 86.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.314 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 65' ' ' VAL . 81.5 t -69.13 -43.44 81.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.882 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -62.22 -26.69 68.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.003 0.43 . . . . 0.0 110.939 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.478 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 5.5 tp60 -90.25 -60.64 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.455 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 89.1 mt -61.1 -42.86 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.162 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 34.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 t-160 -64.07 89.01 0.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.0 27.21 38.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.222 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 115' ' ' LEU . 63.4 mtt180 -143.93 170.44 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.86 -0.2 . . . . 0.0 111.152 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 81' ' ' VAL . 13.4 m-20 -59.91 104.6 0.31 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.782 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.76 78.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.611 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 111.243 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.67 -44.85 89.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.963 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 77' ' ' ASP . 75.7 t -57.93 -48.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.139 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -56.76 -45.09 82.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -61.34 -50.81 71.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.005 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.61 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.537 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.6 t -58.24 -49.04 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 174.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.52 -29.25 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.907 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -69.67 -18.76 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.644 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 34.2 m -104.11 -3.86 23.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.631 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 85' ' ' VAL . 86.3 t -88.24 107.18 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.748 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -115.52 168.24 10.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.722 175.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 91' ' ' LYS . 37.6 mtpt -81.21 160.25 24.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.454 . . . . 0.0 110.548 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.46 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 54.3 t30 -80.06 70.46 6.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.578 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.5 p -83.61 -15.83 47.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.647 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.48 -19.18 46.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.818 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 63.29 24.3 14.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.404 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.59 120.83 15.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.422 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' A' ' 48' ' ' LYS . . . -70.64 -32.67 70.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -171.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.2 m -62.58 -43.61 98.37 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.701 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -75.41 -28.51 59.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.426 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 10.5 t90 -66.95 -55.06 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.371 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.36 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.703 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.476 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 81.4 t80 -65.82 -32.28 73.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.906 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.7 -39.54 70.13 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.439 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.4 -44.23 98.31 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.294 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.95 -47.59 68.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.937 0.398 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.137 -177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.15 -43.41 98.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -77.43 -48.54 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.405 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' HD13 ' A' ' 113' ' ' LEU . 1.4 pp0? -60.68 -26.8 67.36 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.883 0.373 . . . . 0.0 111.184 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.73 -28.18 69.41 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -109.44 -34.81 6.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -138.06 72.82 1.42 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -171.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 109' ' ' GLN . 59.0 tp -89.81 -30.16 18.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.12 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 m -63.82 -35.03 79.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.893 0.378 . . . . 0.0 110.535 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.407 ' CD1' ' HD2' ' A' ' 76' ' ' ARG . 31.1 tp -64.1 -36.68 84.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.941 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.9 -43.19 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.478 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.18 -44.45 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.807 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.72 73.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.355 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.472 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 97.3 p -59.56 -39.39 83.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.791 -176.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.3 pt -89.44 -2.14 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.422 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 tttm . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.75 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.724 ' N ' HE22 ' A' ' 71' ' ' GLN . 14.5 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.4 p -78.21 176.03 9.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.536 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m -55.62 -38.52 69.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.476 . . . . 0.0 110.909 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.67 -40.44 84.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.906 -178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.29 -40.12 95.31 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.22 -35.07 79.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.185 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.19 -33.02 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.0 tpm_? -73.15 -41.07 64.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -67.4 -34.68 77.77 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.003 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -40.79 92.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.568 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.14 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.981 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.65 -49.32 75.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 -32.7 69.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.597 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.7 -51.24 64.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.746 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 t -66.58 -37.43 84.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.476 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -75.16 -46.66 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.739 0.305 . . . . 0.0 111.602 -175.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.8 mt -87.59 13.45 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 53.48 37.22 25.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.513 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.39 119.8 68.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.786 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.62 142.76 99.36 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.077 2.518 . . . . 0.0 112.136 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.44 -33.7 60.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.694 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.32 -51.67 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.544 0.527 . . . . 0.0 111.585 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -61.26 -36.59 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.441 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.66 -40.93 88.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.6 mt-10 -63.12 -35.16 79.34 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.1 0.476 . . . . 0.0 110.347 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -68.58 -48.59 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.157 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -59.48 -31.33 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.03 -24.31 64.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.931 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -117.32 27.28 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 0.0 111.241 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.3 m95 54.68 45.83 25.96 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.117 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -116.57 109.64 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -114.18 97.19 44.84 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -59.42 142.94 99.76 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.326 2.017 . . . . 0.0 112.294 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -81.07 83.09 6.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.575 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.6 t70 -149.84 149.81 31.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.047 -175.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.87 -42.77 37.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.421 0.451 . . . . 0.0 111.448 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.2 m -51.84 -57.71 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.416 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -59.83 -34.73 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.33 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -69.36 -48.68 60.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.162 -174.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.4 m -66.55 -28.89 68.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.94 0.4 . . . . 0.0 110.162 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -61.32 -45.98 92.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.329 175.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.4 -44.26 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.052 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 4.4 ptmm? -66.6 -41.26 88.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.695 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.491 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 13.2 t -59.21 -50.65 73.2 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.9 -46.37 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.302 0.572 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -63.22 -23.86 67.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.09 -39.02 20.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 5.4 mptp? -66.76 -23.74 66.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.025 0.44 . . . . 0.0 110.489 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.06 -0.75 57.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.278 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 57.16 52.63 8.74 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.398 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.505 HD11 ' HG2' ' A' ' 71' ' ' GLN . 6.9 mt -125.84 -20.11 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.654 -174.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.2 t80 -136.91 138.98 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.009 0.433 . . . . 0.0 110.188 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.15 137.12 53.18 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.37 -18.06 64.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 m -99.68 -61.55 1.35 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.457 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -79.34 -7.99 58.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.977 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.72 -153.38 36.52 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.928 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.46 123.32 13.34 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.194 2.596 . . . . 0.0 111.855 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.28 93.04 8.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.1 t -52.14 -44.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.752 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -57.89 -54.22 49.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.486 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.61 -42.62 99.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 65' ' ' VAL . 67.1 t -69.4 -44.39 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.65 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -63.09 -23.64 67.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 0.0 111.284 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.724 HE22 ' N ' ' A' ' 6' ' ' SER . 7.9 tp-100 -89.76 -60.39 1.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.742 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 74' ' ' HIS . 92.5 mt -67.67 -41.45 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.83 33.07 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 72' ' ' LEU . 38.9 t-80 -72.42 81.94 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.72 27.75 7.36 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.518 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' HD2' HD13 ' A' ' 115' ' ' LEU . 39.5 mtt180 -148.27 163.05 38.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.598 0.237 . . . . 0.0 110.803 177.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.6 111.87 2.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.943 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.43 74.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.124 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.05 -44.54 87.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 111.119 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 32.9 tt0 -67.08 -45.63 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.2 t -58.04 -48.74 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.634 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.86 -43.44 69.53 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.103 0.478 . . . . 0.0 110.519 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -62.84 -52.96 61.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.177 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 18.9 mt-10 -57.87 -40.71 80.88 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.567 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.1 t -59.87 -51.55 71.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.624 0.25 . . . . 0.0 111.063 176.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.9 mt -56.55 -31.9 64.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.851 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.07 -15.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.2 m -108.64 -6.2 16.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.8 t -80.15 100.32 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.438 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -103.62 171.81 7.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.541 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -93.45 158.59 15.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -77.99 71.34 4.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -84.84 -20.93 30.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.572 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -78.76 -15.87 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.62 27.86 17.57 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.971 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -146.27 117.83 8.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.029 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.28 71.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.042 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.533 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 68.5 m -66.04 -46.12 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.881 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -76.52 -26.98 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.368 . . . . 0.0 110.027 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -67.21 -57.08 7.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.7 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.35 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.629 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.456 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 70.1 t80 -68.5 -32.93 73.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.554 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -67.7 -43.22 80.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.178 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.32 -48.91 79.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.04 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -63.83 -46.27 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 59.4 tttt -65.03 -42.81 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -59.13 -42.76 91.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.403 0.621 . . . . 0.0 110.762 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.405 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 28.3 t80 -73.9 -53.58 9.84 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.84 -174.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.67 -27.54 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.4 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 106' ' ' LYS . 4.4 tmtm? -60.29 -37.29 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.271 0.557 . . . . 0.0 109.75 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -106.98 -25.09 11.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.907 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -140.67 69.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.564 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.8 tp -88.32 -27.97 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.135 0.493 . . . . 0.0 110.51 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 m -61.6 -39.25 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.696 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.433 HD13 ' HD2' ' A' ' 76' ' ' ARG . 55.3 tp -65.01 -35.08 80.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.8 -39.86 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.33 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.66 -42.44 91.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.16 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.33 66.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.376 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.6 t -58.18 -46.86 85.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.505 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -90.91 -0.54 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.515 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.7 tttm . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.192 0.52 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -82.45 -176.44 6.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -54.91 -48.41 73.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.407 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.0 -38.99 84.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.788 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -66.81 -43.6 83.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.239 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.702 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.6 tp -59.98 -36.63 77.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.383 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.4 -40.35 68.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.611 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.27 -41.71 89.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.307 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -71.57 -39.02 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.104 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.702 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.0 mtp180 -60.83 -49.92 75.51 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -59.83 -51.42 69.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.891 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.03 -45.09 71.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.779 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.43 -35.62 78.07 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.758 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.404 HG13 ' HB ' ' A' ' 24' ' ' ILE . 3.3 t -62.02 -54.24 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.008 0.433 . . . . 0.0 110.547 176.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.1 m -64.94 -28.93 69.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.062 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -82.53 -44.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.64 0.257 . . . . 0.0 111.267 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -83.67 8.04 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.04 36.14 25.79 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.906 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.404 ' HB ' HG13 ' A' ' 19' ' ' VAL . 36.6 mm -68.57 119.54 69.31 Favored Pre-proline 0 N--CA 1.453 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.197 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.83 142.22 98.73 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.991 2.46 . . . . 0.0 112.482 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.59 -33.0 59.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.744 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.0 -47.48 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.406 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -65.9 -34.17 77.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.594 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.4 t -60.24 -43.51 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 15.2 mt-10 -61.06 -32.08 71.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.004 0.431 . . . . 0.0 110.659 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -65.98 -53.33 40.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.288 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.34 -31.38 67.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.336 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -56.88 -36.64 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.93 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -105.03 29.23 6.51 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.152 0.501 . . . . 0.0 110.703 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 78.7 m95 50.71 50.28 19.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.105 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -114.93 111.22 20.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.956 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -114.27 99.23 50.58 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.554 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.18 143.3 83.52 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.313 2.009 . . . . 0.0 111.974 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.67 80.65 8.72 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -152.44 142.43 22.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.333 -171.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.19 -26.78 12.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.001 0.813 . . . . 0.0 112.542 -169.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -57.8 -55.53 33.69 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.17 0.509 . . . . 0.0 110.822 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m -62.16 -35.38 78.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.29 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -57.71 10.96 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.784 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.9 m -64.66 -32.89 74.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.771 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.02 -48.97 79.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.437 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.69 -38.35 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.939 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.89 -49.73 73.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.268 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 t -56.61 -49.29 75.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.125 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.34 -47.59 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 111.139 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.52 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.7 m-30 -63.26 -27.68 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.802 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -78.4 -37.72 43.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.61 -27.93 68.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.3 mtp -92.28 6.91 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.774 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 50.75 47.36 24.63 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.22 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.463 HD22 HD23 ' A' ' 68' ' ' LEU . 8.0 mt -117.59 -20.51 8.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 63.9 t80 -139.38 138.54 36.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.771 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -116.31 138.36 51.38 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.14 -21.37 66.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.978 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.8 m -99.46 -63.17 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.99 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.72 -14.23 60.33 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 -152.45 25.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.599 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.52 123.86 13.56 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.993 2.462 . . . . 0.0 111.917 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -85.63 90.25 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 81.9 t -49.15 -46.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 114.779 -1.101 . . . . 0.0 112.765 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.16 -50.39 73.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.58 0.229 . . . . 0.0 111.384 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.24 -34.91 79.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.314 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.463 HD23 HD22 ' A' ' 56' ' ' LEU . 17.6 mt -59.95 -44.92 94.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.076 178.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' VAL . 92.0 t -67.83 -44.37 85.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 176.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -63.31 -25.67 68.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.922 0.391 . . . . 0.0 111.279 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -90.42 -60.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.714 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 81.5 mt -62.2 -43.68 98.28 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.387 -175.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.56 33.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.0 t-80 -70.15 87.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.995 0.426 . . . . 0.0 110.171 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.53 11.03 49.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.332 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.406 ' HD2' HD13 ' A' ' 115' ' ' LEU . 61.9 mtt180 -131.94 168.37 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.467 0.175 . . . . 0.0 110.717 -177.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.79 115.68 6.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.369 0.604 . . . . 0.0 110.991 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.45 77.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.43 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.79 -43.43 88.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.132 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.42 -49.31 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.188 0.518 . . . . 0.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.53 -49.63 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.475 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -53.01 -42.01 65.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 110.853 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -62.95 -55.14 28.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.482 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.31 -33.62 76.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.908 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 89' ' ' VAL . 26.0 t -60.63 -50.3 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.642 0.258 . . . . 0.0 110.818 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 mt -56.78 -32.37 65.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.871 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -70.34 -18.64 63.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.527 . . . . 0.0 110.718 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.7 m -103.79 -9.57 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.2 t -73.25 99.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.75 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -104.71 174.08 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.14 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -101.44 159.73 15.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.446 . . . . 0.0 110.587 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.9 t30 -78.11 65.0 3.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.428 0.633 . . . . 0.0 110.173 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.9 p -68.12 -36.21 79.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.57 -176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.18 -5.71 58.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.365 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 65.97 37.91 5.17 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.647 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.62 121.97 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 173.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.67 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.249 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.69 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.174 0.512 . . . . 0.0 110.082 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -75.47 -27.61 58.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.556 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.487 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.1 t90 -73.66 -52.71 12.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.772 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.03 90.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -66.89 -29.12 68.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.433 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -67.14 -44.26 80.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.63 -46.55 93.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.92 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.7 -49.37 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.75 -44.76 90.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.474 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.61 -44.15 97.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.431 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -75.37 -46.74 31.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.916 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -14.77 62.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.765 0.317 . . . . 0.0 111.535 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -68.02 -23.37 64.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -127.67 -30.96 2.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.467 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -129.5 60.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.171 -172.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.3 tp -81.0 -30.39 35.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.971 0.415 . . . . 0.0 110.736 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 p -63.31 -32.25 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.406 HD13 ' HD2' ' A' ' 76' ' ' ARG . 49.7 tp -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.46 . . . . 0.0 110.242 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.52 -35.9 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.427 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -72.45 -30.24 64.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.98 -33.29 30.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.538 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 41.7 p -63.92 -30.47 71.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 0.0 111.836 -176.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.7 pt -93.59 -3.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.1 tttm . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.134 177.903 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.678 ' N ' HE22 ' A' ' 71' ' ' GLN . 29.6 p . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 120.728 0.299 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.7 p -82.32 174.47 11.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.565 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.45 -41.23 76.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.655 0.264 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.82 -49.45 77.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.734 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -61.55 -39.67 91.94 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.943 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.558 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 63.4 tp -62.57 -40.5 97.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.811 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.14 -31.05 71.48 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.098 0.475 . . . . 0.0 110.45 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 77.5 ttt180 -68.48 -47.83 66.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.083 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.09 -34.54 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 14.3 mtt180 -57.3 -50.35 73.19 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -59.21 -44.83 92.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.791 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 5.8 mm-40 -64.89 -32.39 74.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.096 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.34 -29.62 30.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.849 0.357 . . . . 0.0 111.079 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 t -68.96 -50.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.07 0.462 . . . . 0.0 110.503 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -62.17 -37.08 83.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.768 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 p -81.42 -46.55 14.44 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 122.293 -0.255 . . . . 0.0 111.679 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.67 9.44 9.57 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.3 m120 54.58 39.16 30.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.368 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.38 123.57 88.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.461 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -60.47 141.88 96.58 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.932 2.421 . . . . 0.0 112.167 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.05 65.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.604 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.96 -50.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.925 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -59.09 -36.8 75.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.347 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -57.83 -41.71 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -64.51 -31.48 72.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.09 -54.7 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.23 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -56.99 -38.57 73.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.322 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -63.0 -21.66 66.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' ' OE2' ' A' ' 36' ' ' GLU . 36.3 mtmm -110.37 20.8 17.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.089 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.6 m95 59.03 47.67 11.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.172 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 49.9 mt-10 -121.47 109.66 15.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.93 0.395 . . . . 0.0 110.145 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -115.58 100.0 53.09 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -64.17 145.65 89.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.556 2.171 . . . . 0.0 112.357 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.77 79.44 9.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.841 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.628 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.4 OUTLIER -150.82 157.88 43.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.25 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -52.8 -40.12 62.98 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -172.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -57.44 -56.52 20.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.1 0.476 . . . . 0.0 111.094 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 m -60.59 -35.44 76.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.25 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -61.8 -54.28 44.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.51 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.41 ' CA ' ' HB3' ' A' ' 98' ' ' CYS . 2.1 t -75.89 -21.38 57.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.725 -175.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -58.92 -47.48 84.89 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.05 -36.76 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.617 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 4.8 tmmm? -60.08 -54.31 47.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.189 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -56.93 -47.61 80.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.479 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.99 -49.43 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.48 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.8 m-30 -64.49 -25.86 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.979 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -78.15 -40.4 38.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.95 -22.09 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.996 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.45 2.54 55.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.475 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 58.25 45.75 16.77 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.23 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 6.9 mt -123.35 -17.96 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 111.326 -175.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.48 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.5 t80 -137.33 140.2 41.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.925 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 29.4 t70 -119.16 138.8 52.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.75 -10.83 60.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.651 -175.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.491 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 52.3 m -101.83 -65.09 1.0 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.527 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.14 -12.48 60.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.63 -151.29 24.01 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.021 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.07 123.17 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.788 2.325 . . . . 0.0 111.529 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.6 mt -83.78 89.6 7.2 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -51.4 -37.52 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.46 -174.635 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.16 -55.08 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.312 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -64.39 -34.36 77.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.369 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -59.9 -43.97 94.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.729 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 65' ' ' VAL . 90.6 t -69.33 -41.93 81.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.863 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -62.58 -25.04 67.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.222 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.678 HE22 ' N ' ' A' ' 6' ' ' SER . 7.1 tp-100 -90.28 -60.41 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.397 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.624 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 95.2 mt -64.39 -45.5 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.542 -174.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.91 26.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -174.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.43 92.27 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.86 19.67 16.67 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.366 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -146.68 167.12 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.468 0.175 . . . . 0.0 110.543 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.98 105.93 0.95 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.797 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.04 -32.43 64.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.995 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.69 -49.47 76.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.928 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.09 -42.96 72.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.645 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.37 -47.9 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.544 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -55.8 -43.3 76.72 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.651 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.8 m -61.2 -53.29 58.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.224 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.97 -40.16 92.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.822 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 89' ' ' VAL . 29.0 t -59.26 -48.98 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.626 0.25 . . . . 0.0 110.78 175.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.59 -30.39 68.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -65.7 -18.48 65.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.156 0.503 . . . . 0.0 110.737 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 35.7 m -105.32 -7.25 18.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.684 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 85' ' ' VAL . 39.9 t -95.74 110.37 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.275 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -146.49 -175.11 4.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.624 174.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -65.09 150.16 48.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -167.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -82.7 81.96 8.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.561 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.1 p -84.37 -9.86 58.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.209 0.528 . . . . 0.0 110.529 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.61 -20.73 46.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.259 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.75 20.07 11.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.037 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -147.45 127.31 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.15 -28.29 66.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -173.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 38.8 m -63.36 -39.96 95.96 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -71.98 -44.89 62.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.11 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -62.63 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.23 -173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.01 88.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.731 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 86.7 t80 -65.61 -31.38 72.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -66.76 -44.08 82.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.62 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.05 -44.51 87.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.702 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.45 -46.34 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.801 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -60.1 -41.62 92.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.314 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -63.1 -45.92 89.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.353 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -74.22 -46.59 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.344 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -66.12 -12.28 54.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.97 -37.9 89.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.79 -17.23 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.327 -176.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -127.27 58.8 1.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.664 0.268 . . . . 0.0 111.379 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 tp -86.05 -35.48 20.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.321 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.1 m -61.25 -33.52 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.87 -42.46 94.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.165 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 84.1 mt -59.99 -43.34 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.526 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.4 mttt -64.12 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.978 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.76 -23.43 49.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.037 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 39.9 m -67.2 -36.88 82.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.726 0.298 . . . . 0.0 111.506 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 36.6 pt -91.66 2.78 7.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 111.142 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.324 -177.942 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.1 p -83.33 -173.37 4.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.635 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.0 m -58.64 -41.23 85.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.433 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.83 -44.56 96.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.72 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.28 -39.38 86.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 59.1 tp -62.14 -34.24 76.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.962 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -63.85 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.655 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 67.4 ttt180 -70.98 -63.22 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.337 177.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.58 -39.63 70.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.408 -173.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.32 -36.33 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.819 -176.098 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.4 m -71.37 -46.46 60.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.984 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 12.0 mt-10 -60.73 -35.85 77.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.427 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.9 m -71.54 -34.28 69.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.595 0.236 . . . . 0.0 110.691 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.52 -51.22 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.541 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -61.77 -39.82 92.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.596 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 m -75.57 -43.78 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -84.99 12.47 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 54.64 37.92 29.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.108 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.28 119.07 69.8 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.263 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -62.94 144.01 92.38 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.806 2.337 . . . . 0.0 111.847 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -53.44 -32.14 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.34 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.52 -53.96 39.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.383 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -61.84 -36.33 80.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.63 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.23 -39.91 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.357 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 5.0 mm-40 -58.65 -38.2 77.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.973 0.416 . . . . 0.0 110.37 176.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -67.71 -46.61 71.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -63.36 -19.61 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.614 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -79.51 -10.62 59.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.196 0.522 . . . . 0.0 110.249 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -116.03 22.9 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 55.33 36.04 26.22 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.97 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -107.36 110.18 22.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.526 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.99 91.3 39.36 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.672 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.24 147.65 93.71 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.442 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.15 87.11 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.73 0.776 . . . . 0.0 110.925 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.608 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.2 t70 -146.44 145.1 30.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.812 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.24 -26.31 60.54 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.675 0.609 . . . . 0.0 111.374 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.457 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.9 m -57.63 -37.57 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.571 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -65.36 -48.99 71.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -173.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -20.65 52.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.543 -177.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -59.88 -48.23 82.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 170.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.43 -38.63 78.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.514 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.5 -52.11 67.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.771 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.6 t -59.14 -48.2 82.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.505 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.75 -47.92 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.22 0.533 . . . . 0.0 110.855 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -65.22 -25.68 67.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.785 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -76.55 -43.28 39.68 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.411 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -75.02 -23.91 58.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.8 mtp -86.86 3.95 43.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 55.95 44.06 26.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.926 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD22 HD23 ' A' ' 68' ' ' LEU . 7.3 mt -117.6 -18.85 9.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.868 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -137.42 134.58 36.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.548 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.68 137.08 51.5 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.12 -24.08 67.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.928 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.2 m -95.71 -64.07 1.09 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.851 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.91 -13.87 60.26 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.96 -148.59 22.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.165 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.43 123.96 11.47 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.454 2.103 . . . . 0.0 111.96 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -83.55 96.47 8.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.4 t -50.22 -46.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.759 -174.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.69 -51.78 67.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.663 0.268 . . . . 0.0 111.331 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.01 -37.48 77.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.233 0.54 . . . . 0.0 109.987 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD22 ' A' ' 56' ' ' LEU . 21.1 mt -63.02 -43.48 98.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.185 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 65' ' ' VAL . 98.6 t -69.38 -42.99 81.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 111.427 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -90.85 -57.4 2.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.123 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 74' ' ' HIS . 83.9 mt -63.75 -44.55 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.71 34.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 72' ' ' LEU . 18.7 t60 -65.86 90.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.305 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.43 28.91 31.61 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.33 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -147.22 166.54 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.605 0.24 . . . . 0.0 111.114 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -59.04 105.1 0.29 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.309 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.785 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.5 -47.51 81.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.081 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.13 -48.75 64.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.1 t -54.45 -45.98 70.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.482 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -54.29 -46.67 72.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 111.326 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 m -66.34 -53.1 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.153 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.0 -33.09 71.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.858 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.74 -51.01 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.63 0.252 . . . . 0.0 110.886 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.3 mt -56.56 -31.99 64.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.802 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -73.11 -7.82 53.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 110.952 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.37 -12.56 14.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.11 106.44 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.006 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -122.16 175.65 6.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -85.41 156.7 20.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.545 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -78.59 84.1 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.749 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.2 p -83.24 -25.24 31.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.454 ' OD1' ' HB3' ' A' ' 96' ' ' ASN . 4.6 p-10 -85.95 -10.05 55.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.448 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 67.09 24.16 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.669 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.454 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 18.4 t-20 -130.06 120.76 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.698 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 45.5 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.094 0.474 . . . . 0.0 109.734 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -76.66 -32.79 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.818 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -61.09 -52.32 65.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.91 90.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.497 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 84.9 t80 -67.66 -31.25 71.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -66.06 -44.42 84.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.374 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.24 95.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.807 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 110.861 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -65.54 -40.59 93.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.162 -176.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -62.35 -41.91 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 111.157 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.3 t80 -75.9 -50.93 13.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.089 -173.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.41 -23.99 66.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -61.45 -29.7 70.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.852 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -119.33 -26.8 5.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -134.48 65.41 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.638 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.4 tp -86.52 -29.94 22.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 0.0 110.759 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 m -61.88 -38.46 88.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.67 -34.21 77.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.399 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.78 -40.18 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.393 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.15 -46.14 82.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.034 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.29 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.023 0.439 . . . . 0.0 111.343 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.1 t -54.61 -46.08 73.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.628 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.0 pt -90.42 -1.3 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.545 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 tttp . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 178.442 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 120.577 0.227 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.3 p -79.46 178.87 7.8 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.296 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -52.88 -48.7 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 111.536 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.7 -40.79 98.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -65.2 -38.88 91.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.277 0.56 . . . . 0.0 109.936 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.8 tp -63.95 -33.28 75.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.979 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.97 -30.48 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -63.74 -57.06 11.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.888 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -64.8 -39.0 92.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.405 HH22 ' CA ' ' A' ' 33' ' ' LYS . 1.4 ttt180 -64.8 -38.79 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.4 -175.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -67.47 -41.8 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.931 0.396 . . . . 0.0 110.647 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.67 -49.22 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.247 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.2 m -64.79 -35.94 82.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.04 -49.81 83.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.135 0.493 . . . . 0.0 110.432 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -64.39 -37.6 88.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.938 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -77.0 -48.21 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.629 0.252 . . . . 0.0 111.414 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.28 10.43 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.6 m120 54.98 40.14 31.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.101 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -67.78 121.7 80.57 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.05 141.97 97.42 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.212 2.608 . . . . 0.0 111.936 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.43 -32.82 65.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.052 -0.977 . . . . 0.0 111.44 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -54.12 -52.27 61.59 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.487 0.492 . . . . 0.0 110.954 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -60.69 -38.38 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.34 -42.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.441 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 10.8 mt-10 -62.25 -38.62 89.98 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.728 0.299 . . . . 0.0 110.224 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.52 -48.55 79.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.447 ' CE2' HG23 ' A' ' 43' ' ' THR . 15.5 m-85 -61.91 -22.6 65.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.191 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' CA ' HH22 ' A' ' 15' ' ' ARG . 24.3 ttmm -74.76 -28.93 60.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.045 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -104.53 29.6 6.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.7 m95 51.7 52.99 13.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.374 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.08 114.08 15.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.037 0.446 . . . . 0.0 110.397 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -120.23 91.35 46.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.273 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -59.36 141.06 97.1 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.54 2.16 . . . . 0.0 112.307 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -73.97 92.57 2.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.223 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -155.1 149.27 25.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -50.17 -45.23 53.19 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.303 0.377 . . . . 0.0 111.74 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.5 m -51.88 -54.15 32.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.718 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.447 HG23 ' CE2' ' A' ' 32' ' ' PHE . 24.5 m -60.58 -33.57 72.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.075 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.9 mtt -69.42 -50.26 47.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.42 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.4 m -64.81 -29.73 70.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.633 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -60.85 -51.18 70.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.183 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.49 -37.77 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.69 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.39 -53.34 59.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.673 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.05 -46.04 86.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.382 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.12 -50.24 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -64.68 -26.26 68.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.98 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -77.82 -41.82 35.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.16 -22.8 54.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.354 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 83.6 mtp -82.34 -2.55 53.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 59.82 48.46 9.03 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.024 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 68' ' ' LEU . 7.2 mt -124.17 -18.88 5.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.911 -176.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.2 t80 -141.11 137.64 32.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.303 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.514 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 31.0 t70 -122.72 142.77 50.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.376 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -74.03 -11.94 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.763 0.316 . . . . 0.0 111.229 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.514 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 51.7 m -99.33 -63.99 1.08 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.26 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -79.38 -15.47 57.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.881 -175.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.91 -151.24 25.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.537 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -59.08 121.37 9.82 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.175 2.583 . . . . 0.0 111.704 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 mt -82.24 89.34 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.832 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.0 t -48.95 -46.3 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.753 -173.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.98 -51.86 67.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.591 0.234 . . . . 0.0 111.539 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.54 -34.64 78.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.285 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 56' ' ' LEU . 18.4 mt -62.17 -47.64 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.506 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.436 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 94.7 t -68.06 -42.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.69 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -59.94 -29.82 68.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -88.96 -60.41 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.258 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 74' ' ' HIS . 85.0 mt -63.53 -41.03 98.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.31 33.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.99 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.6 t-80 -71.97 83.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.723 178.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.37 33.81 6.08 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.217 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' HD2' HD13 ' A' ' 115' ' ' LEU . 32.1 mtt180 -152.47 171.37 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.275 0.23 . . . . 0.0 110.715 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.64 107.51 2.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.471 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.78 68.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.048 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.8 -41.7 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.054 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -65.55 -45.0 85.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 0.0 110.001 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.71 -47.58 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.318 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -50.95 -45.94 60.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.035 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.2 m -65.11 -52.31 56.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -58.37 -40.14 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.643 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.7 t -60.02 -50.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.576 0.227 . . . . 0.0 110.963 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.44 -32.44 66.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.623 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.23 -8.55 55.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.7 m -113.05 -7.2 13.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.591 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.3 t -79.91 130.57 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.682 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.29 168.98 17.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.113 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -92.4 163.41 13.87 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.371 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 63.1 t30 -79.96 61.98 4.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.409 0.623 . . . . 0.0 111.332 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.6 p -87.86 -5.14 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.647 0.737 . . . . 0.0 109.107 172.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -82.0 -22.74 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.619 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 65.85 19.91 11.35 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.181 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -147.67 121.87 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.845 0.355 . . . . 0.0 110.066 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.07 -32.73 74.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.251 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.8 m -62.32 -45.74 91.88 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.872 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -80.88 -26.23 37.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.306 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.7 t90 -63.31 -52.83 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.986 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -64.91 -40.74 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.905 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 82.3 t80 -65.6 -32.95 74.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.197 -177.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.6 -37.04 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.0 -44.68 95.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.375 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.54 -47.57 75.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.717 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -62.23 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.24 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.98 -45.49 94.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.435 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 34.2 t80 -72.8 -49.42 30.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.953 -174.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.61 -22.73 67.05 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.782 0.325 . . . . 0.0 111.43 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.028 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -18.61 3.71 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.262 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -135.32 63.23 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.191 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.1 tp -85.94 -32.76 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -64.49 -32.24 73.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.908 0.385 . . . . 0.0 110.183 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 76' ' ' ARG . 53.9 tp -67.76 -36.17 80.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.052 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.439 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.6 mttt -64.9 -46.29 82.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.785 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -17.66 60.94 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.828 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.2 t -69.24 -40.52 77.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.946 0.403 . . . . 0.0 110.675 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.4 pt -95.41 -7.57 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.0 tptp . . . . . 0 N--CA 1.444 -0.749 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.239 -177.758 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -96.7 170.04 9.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.389 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -55.73 -49.83 72.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.01 -40.71 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -30.24 38.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.212 0.53 . . . . 0.0 110.637 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.29 -31.4 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.049 174.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.23 -25.5 66.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.562 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 30.9 ttm180 -66.88 -52.96 37.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.759 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.75 -41.92 96.37 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -37.46 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.605 -178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -64.87 -51.4 62.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.397 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 10.7 mt-10 -59.81 -39.47 85.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.364 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.35 -34.08 70.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.31 -49.82 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.432 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t -70.95 -20.2 62.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.93 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.2 p -90.36 -47.39 7.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.388 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.09 10.04 5.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.282 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 55.62 34.27 22.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.369 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.04 118.34 45.06 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.497 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.5 142.83 96.42 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.939 2.426 . . . . 0.0 111.791 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -27.25 56.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.253 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.01 -55.54 19.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.023 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.2 m-85 -64.53 -37.95 89.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.251 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.67 -41.79 83.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -35.79 80.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.14 -46.17 82.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.718 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 12.5 m-85 -59.08 -29.31 67.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -63.56 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -100.02 23.52 9.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.7 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.6 m95 50.0 42.99 25.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.23 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -111.02 109.63 19.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.831 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -114.97 92.62 31.4 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.289 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.91 146.94 76.72 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.503 2.135 . . . . 0.0 112.34 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -80.03 75.58 6.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.671 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.603 ' O ' ' HG3' ' A' ' 44' ' ' MET . 19.9 t70 -144.28 147.41 33.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.966 -174.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.89 -47.36 11.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.822 0.701 . . . . 0.0 111.973 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.9 m -51.69 -57.39 9.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.641 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 m -59.47 -34.23 72.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.296 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.4 mtt -67.27 -50.42 60.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.419 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.3 m -64.91 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.671 0.272 . . . . 0.0 110.412 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -60.03 -51.7 68.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.182 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.14 -39.3 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.79 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 48' ' ' LYS . 12.9 tmtt? -61.95 -52.51 63.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.255 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.9 t -55.26 -47.08 75.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.09 -46.38 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 111.329 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.5 -26.77 68.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.765 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -79.11 -38.04 37.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -62.78 -37.48 86.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.739 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtp -86.93 8.0 24.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.328 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 52.11 46.75 26.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD22 HD23 ' A' ' 68' ' ' LEU . 7.5 mt -116.36 -16.13 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.812 -174.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -142.12 130.48 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.74 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -111.93 146.96 36.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.121 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.62 -18.96 65.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.993 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.4 m -102.58 -65.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.825 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -70.36 -21.25 62.9 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.1 -135.89 13.93 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.644 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.8 122.72 10.39 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.278 1.985 . . . . 0.0 111.939 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -82.42 90.96 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.874 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.9 t -50.8 -45.62 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.584 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.83 -52.26 65.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.653 0.263 . . . . 0.0 111.344 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -64.32 -33.01 74.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.39 . . . . 0.0 110.386 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 56' ' ' LEU . 18.0 mt -62.53 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.056 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 65' ' ' VAL . 87.2 t -66.1 -45.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.852 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -58.73 -30.82 67.76 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.094 0.474 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -85.63 -60.41 2.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.002 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.689 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 94.5 mt -66.77 -41.44 87.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.701 -173.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.56 32.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 72' ' ' LEU . 36.4 t-80 -74.02 85.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.71 23.07 10.34 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.594 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HD2' HD13 ' A' ' 115' ' ' LEU . 34.4 mtt180 -146.0 165.87 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 111.321 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.29 108.12 0.75 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.22 66.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.443 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.14 -46.72 85.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.29 -42.25 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 0.0 110.364 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.51 -48.02 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.4 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -53.2 -45.74 68.71 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 121.032 0.444 . . . . 0.0 110.379 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 9.9 m -60.13 -52.17 66.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -54.29 -44.22 71.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.36 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.6 t -59.28 -51.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.04 -25.08 66.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.779 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 83' ' ' THR . 30.0 mtpp -78.62 -6.72 56.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.314 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -117.56 -8.27 10.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.01 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 85' ' ' VAL . 95.8 t -75.24 112.81 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.76 174.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -131.96 179.46 6.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.189 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -87.41 155.97 19.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.868 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -83.93 64.53 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.652 177.604 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 t -63.46 -15.74 58.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.501 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -89.53 -9.85 48.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.196 0.522 . . . . 0.0 110.755 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.0 t30 55.29 44.8 26.84 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.724 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.44 121.64 6.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.703 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.64 73.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.0 m -62.49 -41.04 98.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -82.8 -24.89 33.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.204 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.433 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 8.9 t90 -73.14 -53.23 11.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.515 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.92 81.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 74.0 t80 -68.46 -31.09 70.14 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.591 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -65.03 -45.9 83.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.958 0.409 . . . . 0.0 110.043 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.42 -46.02 94.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.89 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -64.14 -47.52 79.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -60.55 -44.09 96.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.347 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.26 -43.67 98.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.455 . . . . 0.0 111.061 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 19.4 t80 -74.97 -47.99 26.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.766 -173.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.428 ' HB2' HD13 ' A' ' 113' ' ' LEU . 2.7 pp0? -69.05 -9.67 53.71 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.799 0.333 . . . . 0.0 111.376 -177.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.5 -35.01 79.21 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.004 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.24 -19.37 3.16 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.631 -176.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -123.69 51.91 1.47 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.283 . . . . 0.0 111.122 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.428 HD13 ' HB2' ' A' ' 109' ' ' GLN . 56.8 tp -83.0 -32.44 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -62.93 -33.38 75.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 76' ' ' ARG . 56.4 tp -65.29 -40.61 94.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 176.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.36 -40.6 88.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.91 -30.01 70.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.814 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.05 -30.91 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.22 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.689 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 15.9 m -60.47 -36.17 77.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.427 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 pt -97.28 1.63 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.793 -179.564 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.767 0.318 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.0 p -76.81 179.66 5.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.44 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 86.2 m -49.82 -48.19 50.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.5 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.697 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.58 -43.25 97.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.19 -38.21 90.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.078 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 8' ' ' THR . 80.3 mm-40 -67.2 -27.66 67.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.91 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.691 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 77.1 ttt180 -67.65 -60.32 2.64 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.013 174.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.16 -37.99 72.89 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.017 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.887 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -65.95 -47.42 74.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.761 0.315 . . . . 0.0 111.2 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 16.1 mt-10 -63.21 -34.85 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.709 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.524 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 85.3 m -69.76 -34.59 73.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.767 0.318 . . . . 0.0 110.394 174.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.29 -50.67 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 121.072 0.463 . . . . 0.0 110.427 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 t -65.56 -28.73 69.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.2 t -83.44 -50.02 8.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.686 0.279 . . . . 0.0 111.5 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -81.62 10.35 6.16 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 m120 55.82 34.66 23.91 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.0 mm -64.47 121.14 70.95 Favored Pre-proline 0 N--CA 1.452 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.44 142.48 97.93 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.036 2.491 . . . . 0.0 112.05 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.35 -30.24 66.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.38 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -62.87 -42.01 99.6 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.972 0.17 . . . . 0.0 110.653 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -61.68 -38.55 88.22 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.691 0.281 . . . . 0.0 111.137 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.21 -41.76 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 17.7 mt-10 -63.01 -35.65 80.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.407 176.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.98 -50.19 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.304 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -60.4 -23.32 64.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.226 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -69.65 -28.9 66.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.412 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -104.75 27.63 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.814 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 50.45 46.16 25.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.979 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.05 109.37 18.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.695 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -114.2 97.77 46.53 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.642 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.94 140.59 93.62 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.516 2.144 . . . . 0.0 112.502 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.86 80.4 8.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.591 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.562 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.196 -176.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.8 -44.39 49.12 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -52.52 -60.96 2.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 111.414 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 m -61.14 -33.26 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.567 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -66.4 -51.37 57.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.512 -176.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.95 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.365 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.4 t80 -60.17 -50.71 72.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.649 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.6 -38.92 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.02 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HD2' ' HB1' ' A' ' 97' ' ' ALA . 9.4 ttpt -63.1 -49.5 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.261 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 t -56.38 -48.29 77.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.361 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 46' ' ' TYR . 94.9 t -62.69 -47.13 94.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -67.89 -28.37 67.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.858 -177.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 3.4 t-20 -77.54 -38.48 48.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.291 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.524 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 25.4 mtpp -71.36 -28.91 64.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.948 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.423 ' HE3' HD12 ' A' ' 56' ' ' LEU . 50.9 mtm -83.8 4.19 30.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.777 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 57.59 31.34 20.2 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.331 0.586 . . . . 0.0 111.735 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD22 HD23 ' A' ' 68' ' ' LEU . 7.3 mt -103.75 -18.62 14.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.693 0.758 . . . . 0.0 109.997 -176.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 52' ' ' ASN . 67.8 t80 -144.13 127.29 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.751 176.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -98.25 140.68 32.19 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.43 -9.45 34.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.398 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -121.79 -57.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.828 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.83 -4.99 49.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.41 -157.31 42.29 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.535 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -63.38 122.3 10.41 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.383 2.722 . . . . 0.0 112.46 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -85.48 97.28 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.2 t -51.24 -45.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.829 -174.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.54 -52.21 66.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.51 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.67 -33.53 74.14 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.178 0.513 . . . . 0.0 110.166 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.425 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -62.96 -41.09 99.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.443 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.5 t -72.36 -41.3 65.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.86 0.362 . . . . 0.0 111.031 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -64.63 -26.85 68.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -90.6 -60.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 81.5 mt -61.32 -45.45 94.39 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.15 34.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 72' ' ' LEU . 55.6 t-80 -62.38 89.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.391 0.676 . . . . 0.0 110.462 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.76 30.4 35.87 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.358 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 76' ' ' ARG . 30.7 mtt180 -147.33 167.62 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.797 -0.237 . . . . 0.0 111.348 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.8 m-20 -57.97 101.47 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.969 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.32 91.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.096 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.45 -46.6 88.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.131 0.491 . . . . 0.0 110.869 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 38.1 mt-10 -69.27 -40.1 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 85' ' ' VAL . 61.6 t -56.58 -51.37 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -49.84 -46.24 51.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.6 m -58.55 -50.91 72.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.117 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 23.0 mt-10 -64.76 -30.28 71.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -75.65 -33.17 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.789 177.714 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.93 -29.9 70.4 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 61.8 pttt -77.92 -7.82 57.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.103 0.478 . . . . 0.0 110.368 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 m -105.16 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.226 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 85' ' ' VAL . 87.1 t -71.97 130.83 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 175.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -144.89 160.01 41.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -71.68 157.74 37.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.517 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -83.74 59.48 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.505 0.669 . . . . 0.0 110.697 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -83.72 -5.83 59.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.557 0.694 . . . . 0.0 109.564 173.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -80.71 -25.51 38.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.658 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.33 33.49 16.42 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.948 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -152.91 118.65 5.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 48' ' ' LYS . . . -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -171.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.03 -44.46 96.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.709 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.647 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.9 t-160 -78.78 -29.17 44.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.411 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -61.6 -54.08 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -66.34 -29.49 69.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.707 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.647 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 57.0 mtp180 -67.7 -45.29 75.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.408 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.75 -44.89 96.82 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.768 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -65.77 -46.29 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.692 0.282 . . . . 0.0 110.74 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -63.5 -41.95 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.158 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.69 -44.88 96.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.897 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -74.35 -47.67 32.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.237 -173.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -68.75 -11.89 60.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.615 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -77.5 -26.73 51.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.016 0.436 . . . . 0.0 110.382 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -117.17 -27.54 6.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -139.74 66.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.523 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.3 tp -81.47 -26.72 35.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.977 0.418 . . . . 0.0 110.61 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.0 m -66.35 -36.53 83.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.1 tp -66.96 -35.17 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 82.7 mt -66.08 -45.19 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.247 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.32 -36.08 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.013 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.34 59.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.121 -177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 94.1 p -65.37 -29.72 70.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.507 -176.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.2 pt -98.46 6.63 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.975 0.417 . . . . 0.0 111.192 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.1 tptt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.103 178.482 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.4 p -81.59 -178.19 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.314 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -54.61 -37.69 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.264 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.52 -46.66 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.979 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.69 -39.88 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 109.697 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.707 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 65.7 tp -60.95 -45.07 96.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -61.1 -31.9 71.58 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 0.0 110.636 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -65.63 -44.27 86.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.379 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -69.77 -37.37 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.707 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 47.5 mtm180 -62.56 -33.87 75.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.694 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -67.19 -41.45 85.84 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.662 0.267 . . . . 0.0 110.879 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.74 -35.84 81.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.3 m -72.85 -34.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.788 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.71 -53.48 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -65.94 -19.71 65.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.513 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 t -90.26 -47.61 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.23 14.43 9.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 55.54 39.15 30.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.493 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.0 mm -73.45 119.93 78.44 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.736 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.86 145.87 94.78 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.829 2.353 . . . . 0.0 111.923 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.53 -32.0 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.513 -177.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -52.07 -49.89 62.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.504 0.502 . . . . 0.0 110.702 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.17 -42.02 89.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.249 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.43 -38.36 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.474 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.0 mt-10 -62.97 -38.26 90.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.123 0.487 . . . . 0.0 110.298 175.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.06 -45.97 83.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.158 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -59.22 -33.53 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.97 -16.47 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -115.5 24.23 11.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.544 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 48.44 48.34 19.33 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.868 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.89 109.78 15.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.403 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -115.32 98.7 51.17 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.734 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.83 141.33 95.78 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.624 2.216 . . . . 0.0 112.508 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -89.12 79.73 7.12 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.559 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.9 OUTLIER -155.51 160.78 40.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.627 178.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -51.14 -36.51 41.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -172.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -56.08 -59.88 4.29 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.667 0.27 . . . . 0.0 111.347 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.4 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -66.71 -47.55 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.57 -174.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.06 -30.58 69.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.777 0.322 . . . . 0.0 110.203 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.489 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 33.8 t80 -60.44 -50.58 73.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.32 -40.18 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -60.34 -51.97 67.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 110.156 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.16 -48.62 79.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.611 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.59 -43.21 98.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.53 -27.78 68.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.554 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.05 -35.01 43.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.276 0.56 . . . . 0.0 110.068 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.61 -37.42 83.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.7 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.425 ' SD ' HD13 ' A' ' 11' ' ' LEU . 98.0 mtp -85.49 1.84 47.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.255 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 60.91 54.06 3.58 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.494 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 mt -127.23 -19.4 4.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.568 -173.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -141.96 138.52 32.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 28.5 t70 -119.76 137.03 54.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.442 178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.4 -20.74 60.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.621 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.44 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 57.7 m -99.28 -65.76 0.94 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -76.26 -7.89 55.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.93 -152.81 35.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.918 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 121.33 9.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.074 2.516 . . . . 0.0 111.817 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -83.07 91.03 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.4 t -48.52 -44.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.621 -175.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.21 -54.69 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.664 0.269 . . . . 0.0 111.424 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.94 -33.05 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.06 -51.02 71.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.24 -38.9 80.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -61.0 -32.19 71.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -90.66 -57.65 2.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.988 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.727 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 91.9 mt -59.8 -42.54 93.67 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -174.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.25 34.6 0.09 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.133 0.492 . . . . 0.0 111.901 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 72' ' ' LEU . 68.8 t60 -66.35 85.77 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 29.09 23.83 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -149.25 166.46 28.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.681 0.241 . . . . 0.0 111.351 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.3 m-20 -55.49 110.37 0.69 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.405 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.17 83.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.846 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.7 -46.5 87.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.913 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.92 -45.83 89.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.192 176.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 77' ' ' ASP . 91.9 t -59.36 -48.29 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.562 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -56.24 -44.47 79.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -60.63 -53.46 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.056 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -55.5 -42.99 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.567 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.3 t -57.59 -51.43 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.816 0.341 . . . . 0.0 111.002 176.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.44 -30.34 70.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.44 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -74.23 -4.25 34.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.803 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 m -119.96 -9.13 9.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.261 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 85' ' ' VAL . 69.4 t -75.1 123.2 30.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.954 0.406 . . . . 0.0 110.839 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -114.41 178.54 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.939 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -100.68 155.36 17.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.31 173.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.463 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 59.6 t30 -78.6 71.05 5.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 110.703 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.5 p -90.22 -9.04 49.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.046 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' CG ' HH12 ' A' ' 103' ' ' ARG . 4.3 m-20 -81.06 -18.8 45.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.902 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 61.36 23.9 14.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.472 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -146.67 107.85 4.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.441 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.98 -41.13 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.815 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -77.4 -31.08 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.463 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.4 t90 -62.6 -53.48 53.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.366 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.43 84.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 82.9 t80 -66.39 -35.87 81.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.583 -175.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 103' ' ' ARG . 31.2 ttp180 -72.32 -33.67 67.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.19 91.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.462 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -64.9 -46.97 79.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -63.38 -42.61 98.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.054 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.8 t -60.95 -45.66 93.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 110.885 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.456 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 28.4 t80 -70.41 -50.0 43.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.002 -173.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.69 -26.75 68.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 111.347 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -66.86 -23.1 65.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.048 0.451 . . . . 0.0 110.734 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -112.84 -35.96 5.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -136.61 73.65 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.969 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 tp -87.09 -32.45 19.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.752 0.311 . . . . 0.0 111.174 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -34.66 78.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.53 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.39 -38.54 91.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.983 0.42 . . . . 0.0 110.053 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.54 -42.29 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.316 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -37.91 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.586 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.27 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.727 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 17.2 m -61.52 -32.42 72.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.884 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.38 7.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 111.268 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 49.2 tttm . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 120.937 0.398 . . . . 0.0 111.077 -179.542 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.422 ' N ' HE22 ' A' ' 71' ' ' GLN . 14.9 p . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 120.916 0.389 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.8 p -76.83 -173.1 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.87 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 3.3 m -56.62 -40.0 74.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.52 -50.7 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.795 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.81 -39.72 85.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.84 -40.83 98.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.386 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 8' ' ' THR . 43.0 mt-30 -69.44 -27.01 64.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.2 ttm180 -65.84 -58.01 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.469 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -60.93 -35.6 77.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 111.305 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.49 94.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.702 -175.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 m -64.79 -43.71 92.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.349 . . . . 0.0 110.572 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 3.2 mm-40 -61.02 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.347 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.15 -32.82 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.3 -52.9 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.2 m -64.47 -31.09 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.0 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.5 m -79.87 -45.19 19.11 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.01 9.68 24.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 t30 55.37 35.72 25.59 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.131 0.491 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.64 121.74 72.31 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.469 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -60.51 139.67 87.43 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.789 2.326 . . . . 0.0 111.468 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.555 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.91 -34.27 65.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.483 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' OD1' ' HE2' ' A' ' 31' ' ' LYS . 18.6 t70 -53.83 -49.92 67.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.227 176.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -61.21 -38.97 88.51 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.537 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.75 -44.5 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.077 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -64.58 -32.77 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.989 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HE2' ' OD1' ' A' ' 27' ' ' ASP . 66.5 mttm -62.12 -52.81 62.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 174.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE1' HG23 ' A' ' 43' ' ' THR . 9.3 m-85 -59.97 -33.51 72.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.481 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -62.32 -26.54 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.751 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -107.54 32.75 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.3 m95 50.63 41.93 26.4 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -126.15 113.15 16.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.293 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -116.59 102.93 53.13 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.592 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.51 145.62 97.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.416 2.077 . . . . 0.0 112.385 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -81.45 81.38 7.59 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.271 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -148.74 146.16 27.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.985 -173.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -44.45 -47.96 9.94 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.749 0.656 . . . . 0.0 112.506 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 m -53.99 -52.93 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.564 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.492 HG23 ' CE1' ' A' ' 32' ' ' PHE . 25.1 m -60.89 -34.02 74.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.205 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 62.5 mtt -67.3 -51.81 48.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.344 -175.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -67.14 -28.52 68.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.099 -0.241 . . . . 0.0 110.82 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -61.42 -51.7 67.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.838 0.351 . . . . 0.0 110.058 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.49 -38.93 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.594 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -60.44 -53.09 61.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.379 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.639 ' SG ' ' HE2' ' A' ' 53' ' ' LYS . 16.2 t -57.01 -46.98 81.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.546 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.26 -48.02 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.744 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.67 -24.62 67.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.902 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -80.22 -40.14 27.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.639 ' HE2' ' SG ' ' A' ' 49' ' ' CYS . 65.1 mttm -74.71 -26.04 59.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 77.6 mtp -82.87 -0.2 47.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.805 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 57.08 50.82 11.31 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -122.92 -17.52 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.037 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -139.46 135.16 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.843 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -118.18 144.23 45.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.91 -20.87 65.14 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.5 m -99.11 -64.16 1.06 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.509 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.76 -16.44 60.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.84 -148.57 22.65 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.23 -0.985 . . . . 0.0 112.324 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.35 121.18 9.07 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.05 2.5 . . . . 0.0 111.693 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -81.38 95.82 7.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.9 t -51.17 -44.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.523 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.79 -49.54 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.325 . . . . 0.0 111.437 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -63.39 -34.57 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.167 0.508 . . . . 0.0 110.163 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.4 mt -65.24 -44.44 88.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.47 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 65' ' ' VAL . 99.1 t -68.22 -42.57 84.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.907 0.384 . . . . 0.0 110.295 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.93 -26.73 67.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.324 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.422 HE22 ' N ' ' A' ' 6' ' ' SER . 19.4 tp60 -91.16 -60.71 1.83 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.023 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 96.8 mt -67.03 -41.22 86.93 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -171.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.94 34.0 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.441 ' H ' ' C ' ' A' ' 72' ' ' LEU . 26.9 t-80 -75.45 84.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.26 29.38 6.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.734 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.54 ' HD3' HD13 ' A' ' 115' ' ' LEU . 18.8 mtp180 -152.51 168.03 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.597 0.198 . . . . 0.0 110.661 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 81' ' ' VAL . 26.3 m-20 -64.16 106.27 1.04 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.089 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.14 -39.97 95.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.681 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.62 -43.16 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.109 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 77' ' ' ASP . 90.4 t -57.11 -43.7 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.07 -43.66 70.49 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -62.5 -54.75 35.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.283 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -42.7 78.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.4 t -59.15 -50.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.04 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.52 -31.83 64.5 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.747 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.91 -7.02 53.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.004 0.43 . . . . 0.0 110.939 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.0 m -113.23 -11.59 13.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.566 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.1 t -71.42 103.57 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 109.92 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.04 176.98 4.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.106 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.03 152.08 20.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.868 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -77.34 64.24 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -76.02 -19.98 58.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -83.41 -13.0 55.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 58.66 29.05 18.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.51 126.68 13.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.239 -178.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.84 -35.51 78.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.713 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.23 -41.24 98.23 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.185 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -71.42 -30.95 66.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.6 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -70.31 -52.09 25.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.721 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.59 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 87.2 t80 -64.28 -33.11 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.87 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -70.47 -36.55 73.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.301 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.37 90.45 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.33 -45.32 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -63.24 -38.64 91.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.453 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.6 t -65.52 -43.67 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.501 . . . . 0.0 111.134 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 33.8 t80 -76.62 -47.28 22.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.373 -172.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.0 -24.86 66.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.571 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -66.26 -26.01 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.938 0.399 . . . . 0.0 110.526 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -116.95 -24.7 7.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.304 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -139.74 61.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -80.99 -34.22 33.13 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.478 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 m -62.79 -34.38 77.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.089 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.54 HD13 ' HD3' ' A' ' 76' ' ' ARG . 62.3 tp -68.08 -35.57 78.4 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.59 177.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 80.7 mt -65.94 -39.66 85.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 110.333 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.71 -46.38 79.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.717 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.74 74.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.1 t -54.5 -47.46 73.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.483 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.38 -0.08 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.508 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.5 tptt . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 121.0 0.428 . . . . 0.0 110.971 -175.315 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.595 ' N ' HE22 ' A' ' 71' ' ' GLN . 16.4 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -79.35 177.12 9.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.518 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.0 m -53.13 -47.11 68.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.603 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.84 -41.18 99.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -63.4 -39.29 94.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.072 0.463 . . . . 0.0 109.774 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -64.61 -37.19 86.7 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.943 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -70.72 -24.04 62.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.271 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -70.07 -52.77 21.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.98 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -62.75 -38.97 92.64 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.851 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -59.06 -43.09 91.69 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.044 0.449 . . . . 0.0 110.035 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.0 m -61.71 -51.33 68.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -40.53 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -176.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -65.27 -33.93 77.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.559 0.219 . . . . 0.0 110.911 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -65.8 -54.18 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -65.5 -22.02 66.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.603 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 t -87.87 -48.19 8.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.6 11.42 8.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m120 57.33 32.92 22.54 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.406 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.64 120.68 67.87 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.651 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.55 140.44 93.95 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.796 2.33 . . . . 0.0 111.958 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.61 58.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.94 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -57.11 -49.27 76.42 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.464 0.477 . . . . 0.0 111.145 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -61.01 -35.78 77.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.73 -43.26 87.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.204 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.52 -36.11 77.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 110.648 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.02 -53.62 50.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 178.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -59.89 -32.0 70.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.874 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.25 -30.18 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.525 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -104.19 16.89 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.5 m95 56.28 44.4 24.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -109.75 109.37 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.518 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -115.83 97.58 49.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.569 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -64.3 146.4 90.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.544 2.163 . . . . 0.0 111.928 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.39 80.94 3.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.452 0.644 . . . . 0.0 109.461 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.66 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -141.96 150.24 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.161 -177.445 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.49 -42.31 67.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.222 0.326 . . . . 0.0 111.789 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.3 m -57.03 -56.59 19.77 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.467 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.3 m -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.66 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.3 mtt -65.38 -49.72 68.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.297 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.5 m -66.78 -29.91 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.729 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.21 -47.48 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.333 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.97 -38.47 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.633 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -59.7 -52.16 66.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -58.96 -47.29 85.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.06 -48.81 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.385 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.492 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.3 m-30 -62.69 -29.05 70.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 110.854 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -78.85 -38.33 38.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.264 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -70.07 -27.4 64.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.646 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.6 mtp -87.49 2.59 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.55 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 54.92 35.56 24.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.945 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.431 HD22 HD23 ' A' ' 68' ' ' LEU . 7.1 mt -106.61 -15.66 14.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.522 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.492 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.2 t80 -136.86 134.31 36.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.492 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -113.08 142.78 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.834 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -66.68 -19.48 65.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.841 -174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -109.22 -56.76 2.25 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.604 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.9 -15.42 57.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.644 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.49 -149.8 27.76 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.206 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.76 123.57 13.55 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.956 2.437 . . . . 0.0 111.885 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.6 93.0 8.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -54.03 -35.68 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.016 -174.762 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.24 -56.36 22.52 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.902 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -59.79 -37.39 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.182 0.515 . . . . 0.0 110.297 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 HD22 ' A' ' 56' ' ' LEU . 18.2 mt -63.04 -45.9 90.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.806 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 65' ' ' VAL . 89.6 t -68.92 -41.97 82.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.889 0.376 . . . . 0.0 110.684 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.6 -24.98 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.263 0.554 . . . . 0.0 110.534 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.595 HE22 ' N ' ' A' ' 6' ' ' SER . 7.6 tp-100 -90.0 -59.93 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.135 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.36 -45.82 89.41 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.45 -175.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.83 33.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -72.43 84.6 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.447 . . . . 0.0 109.863 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.76 26.7 8.89 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.255 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -150.36 166.39 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.935 -0.156 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.47 105.59 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.374 0.607 . . . . 0.0 111.631 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.83 72.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.814 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.3 -39.11 89.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.986 0.422 . . . . 0.0 111.028 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.95 -46.0 86.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.384 0.611 . . . . 0.0 109.446 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.2 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.667 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -53.92 -43.97 70.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.79 0.436 . . . . 0.0 110.74 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -51.94 66.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.44 -44.93 89.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 89' ' ' VAL . 39.6 t -55.98 -50.82 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 CA-C-O 120.802 0.334 . . . . 0.0 111.237 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.5 mt -57.7 -31.93 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.627 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.32 -8.17 55.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.176 0.513 . . . . 0.0 110.745 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 24.4 m -114.15 -11.28 12.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.801 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 85' ' ' VAL . 79.6 t -75.55 102.41 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -122.74 158.66 29.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.624 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -74.94 151.64 38.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.402 ' HB2' ' CD2' ' A' ' 100' ' ' TRP . 57.5 t30 -77.74 76.43 4.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.462 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -81.97 -26.32 34.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.898 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.36 -14.91 54.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.675 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 66.76 21.57 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.177 -0.919 . . . . 0.0 113.282 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.88 115.89 22.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.196 0.522 . . . . 0.0 110.09 172.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -32.5 65.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.492 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 76.8 m -64.7 -37.4 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.439 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.415 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 47.4 t-80 -85.53 -20.24 29.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.402 ' CD2' ' HB2' ' A' ' 92' ' ' ASN . 10.0 t90 -69.73 -53.19 19.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 110.128 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.462 0.648 . . . . 0.0 109.952 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 62.5 t80 -72.79 -28.65 62.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.574 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -66.27 -46.34 77.38 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.939 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.05 -45.69 93.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.946 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.81 -46.8 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 0.0 111.113 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -66.73 -37.79 85.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.12 -175.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.7 t -64.19 -42.82 96.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.34 -48.14 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.94 -20.44 65.22 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.05 0.452 . . . . 0.0 111.059 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -60.36 -36.72 78.67 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.453 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.83 -31.7 6.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.713 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -133.04 70.46 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.186 -173.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -84.77 -36.3 21.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.639 0.257 . . . . 0.0 111.412 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.7 m -62.65 -34.54 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.948 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.59 -33.75 76.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.17 -41.79 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -69.77 -37.9 76.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.826 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.89 67.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.452 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.472 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.0 t -56.5 -45.28 81.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.545 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 27.4 pt -85.83 -2.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.013 0.435 . . . . 0.0 110.702 -179.149 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.8 p -86.37 -170.25 3.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.816 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.435 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 69.5 m -59.57 -46.6 88.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.118 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.47 -44.29 84.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.41 -47.6 81.32 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.094 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.9 tp -57.79 -36.83 72.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.074 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 8' ' ' THR . 57.2 mt-30 -58.16 -40.73 82.16 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.951 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.526 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 51.3 ttt180 -66.11 -46.12 78.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 177.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -62.24 -33.44 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.026 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 17.2 mtt180 -60.03 -53.32 59.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -52.59 -52.02 57.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.466 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.8 mt-10 -64.23 -31.6 72.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.838 -176.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 97.8 m -76.52 -32.86 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.773 175.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.17 -51.52 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 p -65.84 -31.54 72.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.718 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -76.39 -50.02 15.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.4 mt -82.83 4.52 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 111.805 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t30 56.44 41.35 28.95 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.18 125.06 89.53 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.471 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -64.37 143.64 83.33 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.779 2.319 . . . . 0.0 111.49 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.49 -31.81 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.401 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.17 -54.26 32.96 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.5 m-85 -61.9 -36.96 82.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.24 -44.43 87.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.802 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.3 mt-10 -61.3 -35.59 77.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.21 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -69.94 -45.74 66.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.245 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 17.7 m-85 -58.03 -41.54 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.964 0.411 . . . . 0.0 111.375 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -63.52 -27.46 69.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.374 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -96.72 21.97 8.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.438 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 99.4 m95 53.21 44.74 29.81 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.024 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.58 114.22 18.45 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.84 93.67 46.78 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -173.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.5 147.43 86.31 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.625 2.217 . . . . 0.0 113.131 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.54 84.51 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.191 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' O ' ' HG3' ' A' ' 44' ' ' MET . 21.2 t70 -157.36 147.2 20.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.71 -31.31 47.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.342 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.9 m -57.25 -57.88 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.148 0.499 . . . . 0.0 110.634 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.438 HG23 ' CE1' ' A' ' 32' ' ' PHE . 27.3 m -59.39 -36.36 75.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.413 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.573 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 61.2 mtt -63.34 -52.1 63.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.359 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -23.13 56.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.516 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.6 -46.43 87.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.18 -40.03 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.886 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -61.96 -48.92 78.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 t -57.53 -48.33 79.58 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.376 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.33 -47.44 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 121.049 0.452 . . . . 0.0 111.216 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -64.23 -27.86 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.07 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -78.07 -37.31 46.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.893 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.478 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 24.2 mtpp -71.46 -27.54 63.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -87.92 1.34 54.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.079 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 56.23 49.87 14.52 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD22 HD23 ' A' ' 68' ' ' LEU . 7.6 mt -121.33 -19.84 6.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.872 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 68.9 t80 -137.07 132.12 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.106 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.33 135.4 45.04 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.02 -19.63 65.92 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 111.303 -172.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.7 m -100.16 -59.44 1.71 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.985 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -82.11 -17.53 46.12 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.46 -154.55 21.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.224 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -59.87 122.34 11.26 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.085 2.523 . . . . 0.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 mt -86.26 89.53 7.88 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.2 t -51.06 -41.98 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.727 -173.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.84 -51.77 68.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.201 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.43 -34.73 78.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.463 . . . . 0.0 110.389 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -60.57 -47.51 85.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.24 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' VAL . 95.7 t -65.8 -41.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.309 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.72 -30.72 69.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.083 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.259 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.406 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.9 mt -64.52 -42.45 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.95 32.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -68.3 89.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.876 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 30.46 13.45 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.205 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -146.94 178.15 8.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 111.547 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.74 107.83 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.24 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.364 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.37 -47.69 84.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.2 tt0 -63.1 -49.26 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.3 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.72 -46.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -54.54 -44.81 73.17 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.759 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.1 m -62.13 -53.1 60.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.189 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.6 mt-10 -59.52 -35.98 75.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.713 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.38 -51.01 73.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.601 0.239 . . . . 0.0 111.173 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.47 -32.62 67.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.66 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.83 -8.54 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.06 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.6 m -114.56 -7.64 12.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.173 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.27 108.66 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.335 0.588 . . . . 0.0 110.138 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.89 172.11 7.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.342 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -100.98 163.43 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.013 0.435 . . . . 0.0 110.862 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.541 ' HB2' ' CD2' ' A' ' 100' ' ' TRP . 58.5 t30 -85.36 64.09 8.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.606 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.9 p -74.34 -20.27 60.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.6 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.4 -11.07 56.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.117 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.34 25.53 10.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.506 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.7 114.61 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.33 70.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 39.5 m -62.13 -40.26 95.32 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.115 0.483 . . . . 0.0 110.226 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -80.88 -26.81 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.745 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.541 ' CD2' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -63.31 -56.81 13.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.666 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.78 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.729 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 71.8 t80 -66.02 -34.0 77.09 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.072 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 103' ' ' ARG . 20.9 ttp180 -68.23 -39.31 82.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.65 0.262 . . . . 0.0 110.496 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.06 -46.49 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.527 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -65.87 -48.3 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -60.85 -42.9 98.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.421 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.69 -42.93 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.169 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.406 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 26.0 t80 -74.18 -46.78 39.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 -173.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -9.82 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -64.5 -36.53 84.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.997 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.29 -14.88 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -126.13 51.74 1.76 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.9 tp -83.5 -28.17 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.609 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 t -66.29 -32.23 73.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.1 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.94 -34.35 75.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.142 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.66 -40.83 87.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.207 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.34 -34.71 78.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.516 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.06 -31.26 62.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.423 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.8 t -59.06 -41.3 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.669 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.9 pt -92.72 0.82 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.135 0.493 . . . . 0.0 111.137 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.873 -178.387 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.497 ' N ' HE22 ' A' ' 71' ' ' GLN . 18.0 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.9 p -81.81 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.881 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m -58.32 -41.56 84.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.921 0.391 . . . . 0.0 110.924 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.29 -44.53 96.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.041 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -64.96 -40.53 95.13 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.044 0.449 . . . . 0.0 109.97 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.615 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.7 tp -58.68 -43.58 90.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.52 -175.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.13 -31.14 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 -175.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -70.45 -40.67 73.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.341 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.64 -37.4 82.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 25.3 mtm180 -64.95 -39.1 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.5 m -66.56 -45.76 78.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -54.82 -40.44 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.528 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.96 -31.64 50.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.579 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.49 -52.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 0.0 110.516 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -66.63 -31.86 72.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.43 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 t -75.28 -48.6 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.714 0.292 . . . . 0.0 110.973 -176.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.3 t30 54.6 39.98 31.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.244 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.55 122.28 81.13 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.69 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.63 143.04 91.87 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.827 2.351 . . . . 0.0 111.271 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.578 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.01 -32.68 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.202 -177.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.73 -55.26 14.57 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.701 0.626 . . . . 0.0 111.128 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.13 -36.93 85.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.694 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.41 -42.14 86.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.659 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.4 mt-10 -58.44 -35.61 72.39 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 110.469 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -67.31 -48.8 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.685 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 43' ' ' THR . 11.0 m-85 -60.66 -31.85 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.949 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HA ' HH22 ' A' ' 15' ' ' ARG . 34.9 tttm -71.19 -10.06 59.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -119.72 21.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 57.68 44.95 19.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.227 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -119.05 116.02 25.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.007 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.86 84.7 49.98 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.08 148.53 88.93 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.46 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -73.46 90.02 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.977 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.563 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.6 t70 -154.98 145.98 22.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.087 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.95 -25.56 66.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.746 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -62.64 -57.85 9.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.418 HG23 ' CE1' ' A' ' 32' ' ' PHE . 25.9 m -55.77 -35.78 66.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.26 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.575 ' HG2' ' CG ' ' A' ' 102' ' ' PHE . 66.2 mtt -65.35 -51.16 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.41 -176.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.577 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 85.5 m -64.29 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -62.49 -41.45 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.023 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.633 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.0 OUTLIER -63.25 -45.68 90.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.424 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -57.36 -47.73 80.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.132 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.27 -46.74 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.267 0.556 . . . . 0.0 110.856 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.463 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 4.0 m-30 -65.29 -25.18 67.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.725 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -79.86 -37.83 34.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.845 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -69.38 -27.66 65.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.3 mtp -91.51 5.62 48.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.516 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 55.98 46.96 20.88 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.254 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.49 -18.15 6.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.222 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 78.4 t80 -140.27 139.44 35.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.577 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -118.67 140.83 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.04 -10.12 59.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.886 0.374 . . . . 0.0 111.669 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m -110.51 -57.21 2.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.156 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.55 -8.63 59.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.016 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.56 -154.98 36.93 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.638 -0.792 . . . . 0.0 113.067 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.77 121.99 10.88 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.093 2.529 . . . . 0.0 111.837 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -83.3 90.27 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.121 0.486 . . . . 0.0 109.743 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.9 t -50.24 -44.92 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.574 -173.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.08 -55.26 37.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.5 0.191 . . . . 0.0 111.364 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.7 -35.12 77.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 65' ' ' VAL . 87.5 t -70.53 -44.73 76.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -62.29 -24.82 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 111.512 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.497 HE22 ' N ' ' A' ' 6' ' ' SER . 7.0 tp-100 -89.83 -60.26 1.98 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.041 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 95.9 mt -63.77 -46.11 86.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.265 -175.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -74.76 34.06 0.1 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -69.98 84.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.36 37.7 5.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.859 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -154.66 165.12 37.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.535 0.207 . . . . 0.0 110.816 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.32 107.92 1.0 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.658 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.18 71.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.975 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.11 -39.22 89.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -48.51 71.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.52 -48.09 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.845 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -53.04 -40.41 63.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.3 m -65.01 -55.51 18.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.715 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.3 -27.62 69.45 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.51 -50.2 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.856 0.36 . . . . 0.0 110.587 171.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.5 mt -58.09 -31.0 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.778 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.14 -19.35 65.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.189 0.518 . . . . 0.0 110.687 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -104.59 -9.48 18.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.966 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -77.45 105.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.124 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -103.57 170.46 7.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.229 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -90.82 153.35 20.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.536 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -79.23 64.71 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.1 p -80.73 -15.67 55.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.303 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.35 -24.25 50.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.7 t30 59.35 32.96 22.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.049 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -149.65 117.55 6.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.681 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.15 77.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.078 -174.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.633 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 66.1 m -62.55 -46.92 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.741 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -76.15 -28.74 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.034 0.445 . . . . 0.0 110.273 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -66.71 -56.24 11.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.62 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.84 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.306 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 79.7 t80 -65.32 -35.3 80.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.251 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 103' ' ' ARG . 38.3 ttp180 -74.58 -32.51 62.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.99 -44.66 97.05 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.239 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -68.03 -48.21 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.604 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -56.4 -50.1 72.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.386 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -56.48 -45.01 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -74.9 -45.92 39.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.093 -174.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -67.69 -16.8 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.369 . . . . 0.0 111.274 -178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.25 -30.04 70.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.809 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -121.62 -24.91 5.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.1 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.5 m-20 -134.36 60.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 111.591 -172.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.6 -31.07 22.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.863 0.363 . . . . 0.0 110.713 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -63.85 -33.2 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.6 tp -68.51 -36.58 79.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.156 0.503 . . . . 0.0 109.993 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 112' ' ' ASN . 60.8 mt -64.5 -44.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.48 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.4 -33.34 48.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.202 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 90.2 p -64.0 -32.66 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 34.9 pt -91.09 0.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.481 . . . . 0.0 110.754 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.589 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -75.17 173.59 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.293 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.4 m -53.01 -47.39 68.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.663 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.24 -50.53 71.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.614 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -60.01 -41.16 91.52 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.133 0.492 . . . . 0.0 109.839 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 60.1 tp -63.93 -38.76 92.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.025 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.18 -33.12 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.355 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.626 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 79.7 ttt180 -61.76 -60.66 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.411 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -60.35 -37.55 81.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.539 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -64.09 -40.7 96.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.181 -177.198 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -68.58 -43.06 77.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.1 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 27.6 mm-40 -54.98 -49.78 70.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.317 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.9 -54.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -69.22 -18.36 63.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.611 -176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 m -88.95 -47.9 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.286 -0.258 . . . . 0.0 111.042 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.52 10.9 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 55.97 38.12 29.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.2 mm -70.66 120.57 79.77 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.12 140.14 93.7 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.685 2.257 . . . . 0.0 111.999 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.72 -31.57 62.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.565 -177.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.4 m-20 -53.12 -51.02 63.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.224 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 29.6 m-85 -60.33 -40.25 89.98 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.094 177.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.99 -45.89 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.482 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -61.06 -37.16 81.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.309 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 92.7 mttt -64.42 -43.35 94.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.795 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 16.3 m-85 -60.04 -32.69 71.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -66.84 -22.61 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.254 0.549 . . . . 0.0 110.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -100.95 17.32 22.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.964 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.4 m95 54.1 39.85 31.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.799 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -113.0 109.6 19.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.045 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -115.72 90.81 27.94 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.135 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -54.74 140.03 77.29 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.333 2.022 . . . . 0.0 112.136 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.28 85.77 1.43 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.185 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -150.68 145.18 25.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.703 -177.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.54 -35.39 53.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.408 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -59.84 -51.68 68.67 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.063 0.459 . . . . 0.0 110.729 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.422 HG23 ' CE2' ' A' ' 32' ' ' PHE . 21.3 m -61.72 -33.05 73.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.837 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 63.0 mtt -69.94 -49.79 48.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.5 -174.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.45 -30.43 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.307 . . . . 0.0 110.289 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.18 -51.29 69.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -59.16 -37.77 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.828 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.63 -50.21 73.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.46 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -59.37 -47.65 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.407 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.56 -50.38 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.209 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-85 -65.07 -25.83 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.875 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -78.73 -39.52 36.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.29 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -75.33 -20.1 59.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.184 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 80.5 mtp -89.33 6.04 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 176.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 55.83 44.23 26.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.432 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 68' ' ' LEU . 7.7 mt -122.34 -18.54 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.188 -175.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 71.7 t80 -143.7 142.44 30.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.753 178.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.595 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 31.3 t70 -130.27 143.71 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.41 -12.24 60.02 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.134 0.492 . . . . 0.0 110.884 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.595 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 38.8 m -97.13 -62.2 1.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.227 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.3 -18.31 52.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.92 -155.86 28.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.468 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.7 122.41 11.6 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 123.021 2.481 . . . . 0.0 111.484 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.84 85.72 6.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 69' ' ' VAL . 94.3 t -48.1 -44.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.494 -173.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -58.9 -53.56 56.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.749 0.309 . . . . 0.0 111.327 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.87 -32.38 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.559 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.435 HD23 HD22 ' A' ' 56' ' ' LEU . 18.5 mt -62.04 -45.83 91.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.49 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 65' ' ' VAL . 69.4 t -69.77 -41.73 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -53.94 -37.97 64.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.338 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 61.6 tp60 -86.93 -59.13 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.639 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 96.0 mt -65.21 -46.74 79.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -74.76 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -69.45 92.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.065 0.459 . . . . 0.0 110.121 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.12 26.35 19.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.954 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -145.19 161.41 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.585 0.231 . . . . 0.0 110.421 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.87 109.69 0.77 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.839 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.92 80.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.727 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.05 -37.8 88.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 111.493 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 1.8 mp0 -61.88 -49.8 74.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.333 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.08 -46.26 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.955 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -52.19 -44.7 64.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.4 m -61.86 -52.33 64.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.985 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 31.1 mt-10 -57.24 -41.85 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.298 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.4 t -58.68 -49.89 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.071 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.29 -28.08 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.6 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.85 -6.82 52.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.245 0.545 . . . . 0.0 110.815 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.8 m -113.35 -11.09 13.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.293 177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 85' ' ' VAL . 99.2 t -79.58 132.93 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.952 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -152.52 174.47 13.87 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -89.8 151.76 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.783 0.325 . . . . 0.0 110.783 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.453 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 56.5 t30 -77.06 72.03 3.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.45 0.643 . . . . 0.0 110.795 -177.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 p -80.97 -14.87 57.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.343 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -81.87 -17.17 48.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 66.01 19.63 11.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.516 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.32 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.9 70.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.849 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.23 -41.93 97.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.704 0.287 . . . . 0.0 110.287 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.682 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 32.3 t-80 -77.33 -29.81 53.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.453 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 8.8 t90 -60.38 -56.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . . . -62.5 -37.12 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.464 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 71.7 t80 -66.34 -32.11 73.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.136 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.682 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 41.2 mtm180 -67.59 -45.89 74.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.44 96.11 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.755 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -66.58 -46.69 75.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.863 0.363 . . . . 0.0 111.056 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -69.24 -37.11 77.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.239 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 37.9 t80 -76.46 -50.2 14.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.94 -22.77 65.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.39 -34.18 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -129.53 64.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.425 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -86.2 -30.84 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.183 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -65.88 -35.25 80.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.1 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.331 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.25 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.27 -46.39 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.589 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.72 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.681 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.449 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.7 t -59.16 -45.63 90.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.554 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -86.68 0.03 6.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.119 0.485 . . . . 0.0 111.208 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.325 177.8 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -80.91 -172.71 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.607 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 13.7 m -59.61 -39.12 83.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.0 -53.99 50.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.38 -39.57 93.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 66.0 tp -60.5 -35.0 74.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.35 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 8' ' ' THR . 26.6 mm-40 -66.32 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 0.0 110.673 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -63.29 -55.85 21.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.659 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -63.55 -37.16 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.142 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -66.6 -38.02 86.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.766 -178.39 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -65.72 -48.39 72.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -50.02 50.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.97 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.9 m -68.54 -36.36 78.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.69 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.91 -49.36 80.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.291 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -62.19 -34.77 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.473 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -81.4 -47.77 12.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.38 8.97 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 m120 55.69 34.45 23.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.568 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.8 mm -64.56 120.37 65.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.301 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -62.29 141.98 89.62 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.606 2.204 . . . . 0.0 111.514 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.04 -31.06 60.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.37 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -54.18 -50.42 67.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.252 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.2 m-85 -61.52 -37.97 85.68 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.233 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.29 -42.57 84.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.5 mt-10 -64.08 -32.88 74.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.761 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.98 -51.93 54.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.445 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CE2' HG23 ' A' ' 43' ' ' THR . 11.5 m-85 -59.09 -34.6 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.759 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -62.83 -27.01 69.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.75 11.42 38.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.4 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.7 m95 62.01 46.79 6.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.33 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.11 110.42 15.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.199 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -114.92 94.91 39.85 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.206 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -64.28 151.76 84.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.733 2.289 . . . . 0.0 112.59 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -77.27 87.53 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.017 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.6 t70 -151.17 145.78 25.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.939 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.56 -25.35 67.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.691 -173.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -63.22 -56.24 18.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.436 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.465 HG23 ' CE2' ' A' ' 32' ' ' PHE . 29.7 m -56.47 -36.77 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.43 177.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.25 -49.95 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.686 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.96 -30.34 70.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.495 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.91 -49.42 77.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.04 -38.15 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.1 tmmm? -58.39 -56.55 20.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -56.4 -48.2 77.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.699 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.42 -49.13 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.268 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -64.24 -28.01 69.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.803 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -77.26 -42.63 36.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.38 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -69.55 -29.41 66.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.773 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.7 mtp -83.52 5.79 22.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.501 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 56.35 41.06 29.52 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.427 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.0 mt -117.08 -16.29 10.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.644 -175.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.8 t80 -145.34 137.33 25.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 32.0 t70 -124.61 146.08 49.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.286 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.64 -11.24 60.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.745 0.307 . . . . 0.0 111.345 -175.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.482 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 41.8 m -100.23 -65.76 0.95 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.097 176.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -74.19 -16.18 60.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 -145.8 28.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.098 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.67 119.94 7.1 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.503 2.136 . . . . 0.0 111.942 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.27 93.3 5.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.079 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 69' ' ' VAL . 72.0 t -51.54 -44.47 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.862 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.85 -52.11 67.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.565 0.221 . . . . 0.0 111.568 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.51 -33.22 73.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.541 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.8 -45.5 94.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.0 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 65' ' ' VAL . 97.8 t -69.83 -41.18 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.958 177.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -63.86 -27.77 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 74' ' ' HIS . 30.9 tp60 -90.37 -60.13 2.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.737 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.511 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 90.1 mt -62.67 -44.85 95.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.38 33.41 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.8 t-80 -74.36 82.81 1.92 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.602 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.0 6.52 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.183 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' HD13 ' A' ' 115' ' ' LEU . 18.2 mtp180 -153.3 169.58 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.71 117.09 8.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.553 0.692 . . . . 0.0 110.997 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.494 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.66 -44.45 77.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 110.726 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.18 -48.35 78.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.356 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.2 -45.47 80.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.425 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -51.43 -47.55 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -63.39 -48.61 77.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.132 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.38 -43.17 78.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 89' ' ' VAL . 36.3 t -58.82 -50.0 80.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.659 0.266 . . . . 0.0 111.05 176.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.73 -29.43 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.727 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.52 -10.62 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.896 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -112.29 -9.4 13.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.4 t -79.18 106.83 10.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.95 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.099 0.476 . . . . 0.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -87.72 155.78 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.062 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -81.7 72.4 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.248 0.547 . . . . 0.0 110.73 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.0 p -89.09 -12.27 41.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.378 0.609 . . . . 0.0 109.998 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' HH12 ' A' ' 103' ' ' ARG . 4.1 m-20 -75.69 -26.63 57.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.098 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 61.71 27.21 16.66 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.723 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -147.56 110.06 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.727 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.01 71.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.85 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 64.3 m -62.4 -40.4 96.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.685 0.279 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.26 -28.61 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.29 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -65.34 -55.18 19.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.305 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.42 86.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 77.4 t80 -66.8 -34.35 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.419 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.435 HH12 ' CG ' ' A' ' 94' ' ' ASP . 38.1 ttp-105 -71.51 -35.88 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.191 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.22 -46.35 93.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.496 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -65.9 -46.76 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.915 0.388 . . . . 0.0 110.875 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -65.95 -37.0 84.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.069 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.69 -40.73 98.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.272 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.511 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 36.4 t80 -77.18 -48.88 16.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.572 -173.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -64.81 -23.57 67.28 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 120.717 0.294 . . . . 0.0 111.351 -176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -64.0 -21.88 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.788 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -116.55 -34.88 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.568 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -132.95 70.1 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.278 -170.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.1 tp -88.68 -33.04 17.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.35 . . . . 0.0 111.273 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -62.86 -35.51 80.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 109.902 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.462 HD13 ' HD3' ' A' ' 76' ' ' ARG . 31.5 tp -64.64 -35.83 82.29 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.77 -41.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.071 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.4 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.4 mttt -67.31 -36.38 81.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.714 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.67 45.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.394 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.2 p -70.84 -30.94 67.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.5 pt -97.74 -6.31 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.283 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 120.783 0.325 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.507 HG22 ' OD2' ' A' ' 10' ' ' ASP . 11.7 t -79.64 -177.42 5.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -51.5 -51.68 53.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.67 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.507 ' OD2' HG22 ' A' ' 7' ' ' THR . 9.0 m-20 -58.61 -41.36 85.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.12 -41.91 99.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.948 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.178 0.513 . . . . 0.0 110.39 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.4 ttm180 -64.71 -50.89 65.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.632 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.95 -34.1 77.22 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.937 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.99 -46.62 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.77 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -61.96 -47.8 83.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.666 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.66 -31.3 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -82.8 -35.32 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.15 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -66.5 -53.83 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -68.87 -17.32 63.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.328 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -90.75 -47.85 7.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.045 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -84.28 11.3 8.55 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.91 40.18 29.02 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.268 0.556 . . . . 0.0 110.934 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.7 mm -74.36 120.2 80.25 Favored Pre-proline 0 N--CA 1.452 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.179 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.53 141.68 95.98 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.811 2.341 . . . . 0.0 111.708 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.65 -34.26 61.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.631 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.79 -46.48 84.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -60.58 -38.4 84.49 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.351 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.72 -41.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.276 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.3 mt-10 -67.46 -30.28 69.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -63.68 -49.17 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.283 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.2 -34.64 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.363 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -62.42 -33.7 75.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -89.88 17.63 6.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.194 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.458 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.5 m95 55.24 38.69 30.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.166 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -113.81 110.51 20.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.251 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.7 90.69 32.34 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.526 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.31 143.69 85.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.338 2.026 . . . . 0.0 112.402 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.06 78.32 3.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.815 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.7 t70 -144.18 148.88 35.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.45 -174.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.18 -42.55 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.226 0.329 . . . . 0.0 111.721 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -53.37 -57.23 11.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.307 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 m -60.06 -34.66 73.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.394 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -64.72 -52.15 58.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.435 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -65.86 -29.99 70.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.673 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.579 ' O ' HG13 ' A' ' 50' ' ' VAL . 36.8 t80 -60.46 -51.63 68.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.15 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -57.74 -42.89 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.821 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.61 -45.75 91.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.42 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -60.36 -47.85 84.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.989 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 46' ' ' TYR . 0.9 OUTLIER -71.76 -27.62 28.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.0 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.0 m-30 -68.37 -27.02 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.36 -43.14 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.681 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -62.71 -32.64 73.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.612 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.7 mtp -91.71 0.19 57.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 58.49 48.68 11.71 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.338 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.94 -13.78 7.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.55 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.556 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 82.6 t80 -139.89 141.9 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 24.1 t70 -123.89 147.2 47.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -65.2 -21.3 66.74 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.4 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.402 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 38.2 m -103.57 -66.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.649 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -69.83 -13.4 62.25 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.73 -145.84 30.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.117 -1.039 . . . . 0.0 111.842 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.29 121.9 10.5 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.681 2.254 . . . . 0.0 111.672 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.11 89.0 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.875 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 69' ' ' VAL . 84.1 t -50.43 -44.36 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.933 -1.031 . . . . 0.0 112.736 -173.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.47 -52.03 66.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.74 -34.27 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.323 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.16 -47.37 86.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.269 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -66.86 -42.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.81 -30.41 68.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.987 0.422 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.2 mt -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.475 -174.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.22 32.84 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.1 t-80 -72.64 88.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.745 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.56 20.34 15.35 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.257 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HD3' HD13 ' A' ' 115' ' ' LEU . 12.3 mtp180 -146.96 169.59 18.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.292 0.568 . . . . 0.0 111.886 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.5 m-20 -65.27 109.56 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.159 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.85 90.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.671 -175.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.35 -33.2 74.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.176 0.512 . . . . 0.0 110.658 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 2.5 mp0 -71.11 -45.92 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 77' ' ' ASP . 69.9 t -55.58 -45.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.363 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -52.14 -43.71 64.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.176 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -65.39 -50.27 66.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.062 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 30.3 mt-10 -56.97 -43.66 81.85 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.208 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.1 t -58.38 -48.97 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-O 120.68 0.276 . . . . 0.0 111.434 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.81 -28.58 66.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.786 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -75.48 -9.58 58.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 110.889 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.3 m -111.7 -11.7 13.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.719 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.74 105.7 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.672 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.24 175.52 5.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.657 -176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -101.26 151.51 21.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.69 0.281 . . . . 0.0 110.985 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.17 70.37 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.503 0.668 . . . . 0.0 110.721 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 p -81.59 -20.52 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.595 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.44 -9.03 57.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.297 0.57 . . . . 0.0 110.664 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.17 37.27 20.85 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.917 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -152.43 120.17 6.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.906 -176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.5 -32.84 74.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.01 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.9 m -60.58 -40.52 92.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.883 0.373 . . . . 0.0 110.405 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -82.41 -28.44 31.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.086 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -66.08 -52.87 44.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.138 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.38 84.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.481 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 75.6 t80 -66.71 -34.52 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.865 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.27 -39.89 89.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.207 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.58 81.08 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.79 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -63.05 -48.07 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.727 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -62.73 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.4 t -62.87 -43.41 98.86 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.198 0.523 . . . . 0.0 110.877 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.528 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 22.6 t80 -74.8 -42.1 58.73 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.006 -172.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -7.06 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 111.308 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -86.65 -20.01 28.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -128.99 -16.19 4.13 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.01 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.529 ' O ' HG13 ' A' ' 116' ' ' ILE . 14.4 m-80 -147.35 68.07 1.14 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.373 0.269 . . . . 0.0 110.971 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.3 tp -83.39 -36.14 24.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.08 0.467 . . . . 0.0 110.767 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 m -62.66 -35.94 81.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.14 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.463 HD13 ' HD3' ' A' ' 76' ' ' ARG . 49.1 tp -66.36 -35.14 79.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.394 177.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 112' ' ' ASN . 59.5 mt -66.3 -42.61 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.121 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.458 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.7 mttt -64.34 -40.72 96.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.592 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.89 -20.02 58.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.32 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.449 ' HA ' ' HB3' ' A' ' 74' ' ' HIS . 82.6 p -71.35 -34.73 70.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.7 pt -96.93 -10.94 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 117' ' ' LYS . 16.8 tptm . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.309 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -75.12 -174.72 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.061 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.536 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 11.5 m -59.52 -43.14 93.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.097 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.33 -46.65 87.74 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.87 -39.82 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.077 0.465 . . . . 0.0 110.212 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 67.4 tp -64.16 -41.12 97.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.171 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 8' ' ' THR . 94.8 mt-30 -67.4 -22.72 65.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.278 0.561 . . . . 0.0 110.116 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.611 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 31.7 ttm180 -70.92 -62.48 1.38 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.69 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -59.06 -38.42 79.36 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.573 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.46 -36.82 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.591 -175.453 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -69.53 -42.33 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 0.0 110.577 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.1 mm-40 -56.61 -50.65 71.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.131 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -64.43 -37.27 86.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.62 -53.04 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 120.896 0.379 . . . . 0.0 110.714 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 t -64.18 -36.99 85.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.289 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -75.63 -48.09 23.66 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.54 10.85 8.06 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -173.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.76 38.61 27.44 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.361 0.601 . . . . 0.0 111.063 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -73.17 122.34 87.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.209 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.03 143.55 91.07 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.822 2.348 . . . . 0.0 112.11 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.57 63.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.339 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.75 -52.57 63.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.9 175.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.2 -40.5 94.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.242 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.3 -40.93 82.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.083 0.468 . . . . 0.0 110.819 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -38.22 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.365 177.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.72 -48.09 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.477 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CE1' HG23 ' A' ' 43' ' ' THR . 13.6 m-85 -57.63 -24.25 55.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.264 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -64.77 -31.06 72.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.431 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -107.88 30.7 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.7 m95 51.55 41.04 28.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.33 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -105.42 109.19 21.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.971 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -115.97 91.67 32.12 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.5 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.66 140.67 94.24 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 112.074 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.59 89.45 3.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.69 0.757 . . . . 0.0 109.814 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.3 t70 -155.6 145.22 21.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.018 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.55 -29.98 39.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.243 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 m -58.04 -59.16 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.461 ' O ' HG12 ' A' ' 47' ' ' ILE . 19.1 m -57.72 -34.57 69.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.975 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -68.16 -51.18 48.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.769 -174.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.525 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 72.9 m -64.91 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -63.87 -47.51 80.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.57 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 43' ' ' THR . 28.1 mm -59.34 -41.79 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.789 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.566 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -66.0 -43.96 86.2 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.673 -178.512 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.96 -44.09 82.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 111.073 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.11 -49.09 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.203 0.525 . . . . 0.0 110.699 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -65.18 -22.99 66.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.854 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -76.78 -44.12 34.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.177 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -72.81 -24.77 60.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.05 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.2 mtp -86.99 4.94 39.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.028 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 56.2 50.49 13.36 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.297 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 71' ' ' GLN . 6.8 mt -126.56 -20.49 4.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.777 -174.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -138.11 139.35 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -121.57 141.43 51.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.524 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.21 -23.6 67.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.545 -175.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -95.93 -64.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.644 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -73.76 -16.31 61.17 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.64 -146.06 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.204 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.58 124.88 16.79 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.872 2.381 . . . . 0.0 111.934 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.8 95.36 10.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.106 0.479 . . . . 0.0 109.925 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 77.3 t -51.71 -46.61 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.838 -1.074 . . . . 0.0 113.136 -172.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.86 -52.25 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.686 0.279 . . . . 0.0 111.301 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.487 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 4.7 m-20 -62.93 -33.22 74.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.713 0.292 . . . . 0.0 110.324 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.41 -44.69 95.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.167 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 65' ' ' VAL . 74.7 t -68.31 -47.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -66.24 -17.74 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 111.388 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 67' ' ' ASN . 16.1 tp60 -90.48 -60.44 1.92 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.268 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 74' ' ' HIS . 98.7 mt -69.08 -40.04 78.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.911 -173.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.75 33.2 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.446 ' H ' ' C ' ' A' ' 72' ' ' LEU . 34.9 t-80 -72.11 87.03 1.06 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.923 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.87 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.502 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.496 ' HD2' HD13 ' A' ' 115' ' ' LEU . 24.7 mtt180 -149.01 168.43 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 111.242 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' HG23 ' A' ' 81' ' ' VAL . 32.4 m-20 -61.48 105.84 0.57 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.101 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.65 67.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.974 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.56 -44.23 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.89 -42.78 94.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.101 0.477 . . . . 0.0 109.879 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 77' ' ' ASP . 95.7 t -57.72 -47.43 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.445 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 82' ' ' ARG . 20.3 ttt180 -57.82 -45.21 86.48 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.73 0.3 . . . . 0.0 110.488 176.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 m -58.89 -52.76 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.106 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -57.26 -42.32 81.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.767 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.9 t -59.67 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.6 -31.23 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.456 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -73.0 -6.61 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.044 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.8 m -113.17 -13.91 12.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 85' ' ' VAL . 57.2 t -85.13 131.22 34.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.711 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -160.15 -178.19 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.579 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 4.6 mtpm? -71.46 152.34 43.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 112.563 -171.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.522 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 0.9 OUTLIER -76.41 64.23 2.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.639 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -64.74 -24.01 67.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.599 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.74 -9.14 59.83 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.891 0.377 . . . . 0.0 110.69 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 56.39 23.78 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -133.67 117.75 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.03 77.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.343 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.566 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 86.3 m -63.55 -43.33 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -78.24 -26.92 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 12.4 t90 -68.76 -52.73 27.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.441 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.562 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 81.1 t80 -65.56 -33.93 77.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.789 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -63.79 -46.17 86.39 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.346 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.08 97.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.755 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -68.21 -46.7 69.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -64.25 -41.09 97.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.137 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.1 t -62.96 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -75.39 -47.71 26.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.114 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -67.83 -11.13 57.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.477 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.23 -34.21 76.98 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.98 -15.45 4.8 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.271 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -128.19 55.44 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.737 0.304 . . . . 0.0 111.28 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.2 tp -83.0 -32.98 26.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.6 t -60.36 -36.5 78.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.496 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.496 HD13 ' HD2' ' A' ' 76' ' ' ARG . 46.3 tp -65.98 -35.05 79.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.4 mt -67.58 -37.81 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.322 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.76 -36.43 78.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.845 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.08 -30.24 62.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.405 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.6 t -56.48 -47.4 79.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.314 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.4 pt -90.95 3.11 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.789 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 -177.926 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.535 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 40.6 m . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -86.09 177.84 7.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.535 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -60.03 -41.58 92.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 109.888 177.593 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -54.19 -45.34 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.866 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.25 -40.07 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.225 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.0 tp -65.13 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 8' ' ' THR . 35.1 mt-30 -70.65 -23.44 62.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.6 ttm180 -75.49 -51.14 13.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.409 178.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.1 -30.82 71.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.927 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 40.1 mtt180 -52.53 -45.46 66.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.006 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -63.8 -52.41 60.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.76 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.91 -41.08 97.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.45 -34.92 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.62 -53.6 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -65.67 -39.17 91.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.469 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -72.84 -44.06 61.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.553 0.216 . . . . 0.0 111.218 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -87.9 10.56 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t30 54.19 41.96 31.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.236 0.541 . . . . 0.0 110.795 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.5 mm -72.1 115.92 43.47 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.459 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -61.94 144.76 96.83 Favored 'Trans proline' 0 C--O 1.238 0.501 0 C-N-CA 122.956 2.437 . . . . 0.0 111.776 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.12 -35.26 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.431 -1.259 . . . . 0.0 112.468 -174.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.6 p30 -60.01 -38.12 81.72 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.189 0.306 . . . . 0.0 111.176 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.2 -39.52 82.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.653 0.264 . . . . 0.0 110.718 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.72 -44.62 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.218 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.7 mt-10 -61.97 -31.34 71.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 60.5 mttp -69.64 -46.16 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.01 -35.83 75.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.099 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -66.74 -17.71 65.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.375 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -108.13 17.06 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.8 m95 56.25 44.8 24.27 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.096 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -123.08 109.97 14.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.049 0.452 . . . . 0.0 110.249 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -114.09 97.8 46.33 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.125 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.23 148.56 69.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.603 2.202 . . . . 0.0 112.512 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -84.25 73.65 10.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.68 0.752 . . . . 0.0 109.53 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.656 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -142.84 157.07 44.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.258 -174.021 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -56.46 -41.43 76.52 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 m -55.55 -57.39 12.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.066 0.46 . . . . 0.0 111.191 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 m -58.13 -37.29 74.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.398 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.19 -45.25 77.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.266 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 74.4 m -68.45 -27.14 65.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.078 0.466 . . . . 0.0 110.722 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.514 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 34.0 t80 -64.17 -42.68 96.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.103 174.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.59 -40.74 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.923 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -62.35 -47.36 84.53 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.727 -178.864 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.2 -49.72 76.05 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.74 -47.3 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 120.919 0.39 . . . . 0.0 111.323 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.1 m-30 -64.61 -27.11 68.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -76.15 -42.23 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.86 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -69.65 -25.87 64.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.535 ' SD ' ' HB3' ' A' ' 6' ' ' SER . 46.0 mmm -82.33 2.08 33.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.703 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 53.98 46.58 25.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.242 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 71' ' ' GLN . 8.6 mt -127.21 -19.44 4.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.358 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.9 t80 -140.76 137.89 33.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.696 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 28.7 t70 -118.56 140.97 49.05 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.67 -5.07 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.224 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.408 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 18.7 m -106.08 -62.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.24 -13.68 59.89 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.61 -156.2 31.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.081 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.37 122.86 12.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.109 2.54 . . . . 0.0 111.886 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.38 88.18 7.26 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 69' ' ' VAL . 97.7 t -50.7 -46.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.731 -1.122 . . . . 0.0 113.152 -171.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.73 -50.23 74.33 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.513 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -60.45 -36.29 77.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.192 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.428 HD23 HD22 ' A' ' 56' ' ' LEU . 16.6 mt -61.19 -38.86 88.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.401 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 65' ' ' VAL . 62.1 t -72.92 -43.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.689 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -59.68 -29.55 68.16 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.977 0.418 . . . . 0.0 111.261 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.467 ' HG2' HD11 ' A' ' 56' ' ' LEU . 46.4 tp60 -88.62 -59.06 2.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.196 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.9 mt -67.94 -46.22 72.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.62 32.52 0.08 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -73.55 97.28 2.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.986 0.422 . . . . 0.0 110.097 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.09 23.67 40.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.281 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -145.84 167.81 22.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 81' ' ' VAL . 24.9 t70 -63.43 113.65 3.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.306 0.574 . . . . 0.0 111.219 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.17 72.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.993 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.89 -43.54 75.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.119 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.67 -43.9 92.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 77' ' ' ASP . 70.4 t -57.07 -50.36 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.359 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.71 -43.21 76.29 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.031 0.443 . . . . 0.0 110.667 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -64.14 -51.39 64.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.177 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -54.46 -41.96 70.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.357 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 89' ' ' VAL . 41.7 t -60.6 -54.94 28.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 176.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.37 -31.42 65.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.808 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -55.42 -28.24 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.563 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.15 13.06 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 85' ' ' VAL . 71.5 t -78.11 99.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 109.526 171.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -113.87 -177.68 3.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.864 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -100.13 163.3 12.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.481 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.7 t30 -75.87 68.86 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.771 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.2 p -77.87 -15.23 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.717 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.92 -11.72 35.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.498 . . . . 0.0 110.545 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.05 24.39 12.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.516 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.406 HD21 ' HB2' ' A' ' 98' ' ' CYS . 13.8 t30 -143.95 122.64 12.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.005 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.49 -24.58 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.817 -175.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 63.3 m -66.02 -44.02 85.92 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.291 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.45 -30.28 53.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.443 . . . . 0.0 109.877 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -66.75 -54.3 24.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 66.0 t80 -67.84 -30.99 70.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.52 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -62.45 -46.52 88.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 110.044 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.98 -46.19 82.94 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.127 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.65 -42.84 90.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.701 0.286 . . . . 0.0 110.913 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.8 -45.28 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.049 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.82 -49.84 74.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.491 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 23.4 t80 -66.93 -43.91 82.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.905 -171.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 1.4 pp0? -67.27 -26.61 66.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.28 -29.09 69.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -117.03 -27.9 6.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.67 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -134.78 60.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 0.0 111.15 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 109' ' ' GLN . 58.4 tp -82.69 -27.23 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -64.39 -35.92 82.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.014 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.7 tp -68.5 -33.95 75.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.1 -42.55 88.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.054 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -64.54 -42.1 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.378 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.81 95.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.467 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -57.26 -48.87 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.338 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.6 pt -90.8 1.86 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.529 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.832 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 120.554 0.216 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 p -77.72 178.15 7.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.32 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.08 -40.89 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 0.0 110.883 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.14 -33.53 74.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -80.24 -38.05 31.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.979 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.88 -37.95 88.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.46 -176.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -64.9 -25.77 68.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 110.683 -178.489 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -70.38 -55.51 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.987 178.092 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.11 -34.62 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.49 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -59.77 -47.51 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.219 178.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.9 m -68.12 -44.3 76.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 -179.04 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -40.39 86.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.691 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.69 -35.15 65.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.79 177.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.94 -54.12 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 177.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -60.31 -36.43 77.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.446 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 t -78.37 -48.68 15.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.337 -175.023 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.32 9.88 11.96 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.001 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 m120 56.61 38.84 29.89 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.472 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.42 120.36 79.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.428 178.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -59.56 140.74 95.33 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.754 2.303 . . . . 0.0 111.736 177.414 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.94 -32.05 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.565 -177.632 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.26 -45.21 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.358 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.67 -36.96 85.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 176.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.4 -43.01 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.389 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.3 mt-10 -62.7 -29.28 70.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 178.269 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.525 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.2 mttm -68.69 -52.28 32.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 175.297 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CE1' HG23 ' A' ' 43' ' ' THR . 12.2 m-85 -57.0 -42.01 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 -177.298 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -65.18 -17.79 64.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 9.4 ptmt -109.22 15.88 22.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.399 0.619 . . . . 0.0 109.835 178.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.9 m95 64.49 43.88 4.31 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.209 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -122.84 114.08 20.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.83 177.202 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -120.9 92.12 48.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.038 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -59.83 152.97 59.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.76 2.306 . . . . 0.0 112.736 178.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.31 84.39 1.92 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.998 176.444 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.663 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.2 OUTLIER -148.95 136.52 20.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.178 -172.632 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.06 -30.36 70.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.317 -173.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.607 ' HB ' ' OD2' ' A' ' 40' ' ' ASP . 89.2 m -61.91 -53.4 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.366 173.594 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.406 HG23 ' CE1' ' A' ' 32' ' ' PHE . 58.7 m -55.38 -35.83 65.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.267 176.16 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -67.24 -48.72 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.58 -175.671 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.6 m -66.21 -28.6 68.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.477 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.73 -50.72 71.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 175.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 mm -58.72 -39.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.66 177.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -58.41 -54.57 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.545 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.6 t -58.35 -46.46 86.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.722 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.94 -46.83 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.122 0.486 . . . . 0.0 110.861 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.69 -23.3 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.994 -179.524 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -79.63 -43.82 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.276 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -70.47 -25.03 62.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.604 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.5 mtp -88.25 5.32 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.448 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 57.19 46.31 19.06 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.182 -178.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 56' ' ' LEU . 9.2 mt -123.19 -14.69 7.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.991 0.424 . . . . 0.0 111.588 -173.817 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -140.71 136.69 32.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.082 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -118.81 138.98 52.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.232 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.17 -20.03 65.73 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.44 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.49 -13.62 60.71 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.013 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.44 -146.69 26.3 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.058 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.22 122.08 11.18 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.037 2.491 . . . . 0.0 111.848 176.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 mt -83.07 92.27 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.089 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.1 t -50.71 -44.82 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.753 -174.565 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.33 -54.33 48.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.687 0.279 . . . . 0.0 111.194 -177.115 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -63.6 -33.65 76.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.236 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 65' ' ' VAL . 66.2 t -67.92 -43.34 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.546 176.646 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -58.26 -32.32 68.26 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.491 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.459 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 52.8 tp60 -87.15 -60.07 2.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.236 -178.358 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 74' ' ' HIS . 87.6 mt -65.85 -42.87 89.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.657 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.65 32.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 72' ' ' LEU . 54.2 t-80 -68.94 89.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.888 179.544 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.9 27.98 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.351 -178.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -146.38 164.49 32.27 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.88 -0.188 . . . . 0.0 110.781 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.9 105.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.684 0.615 . . . . 0.0 111.334 -177.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.469 -175.471 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.06 -37.9 89.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -177.168 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.72 -46.53 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.004 176.209 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 81.1 t -56.06 -48.22 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.33 178.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.04 -43.93 64.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.139 0.495 . . . . 0.0 110.794 176.462 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -67.95 -53.36 26.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.525 -176.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -56.27 -38.53 71.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.49 179.162 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.9 t -61.01 -50.96 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.014 175.427 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.5 mt -57.57 -31.67 66.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.873 -178.59 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.29 -17.51 63.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.943 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.0 m -106.31 -8.48 17.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 85' ' ' VAL . 97.0 t -73.93 99.7 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -105.01 170.41 7.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.184 -175.345 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -86.68 151.26 23.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.791 -177.397 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -84.17 65.51 8.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.497 0.665 . . . . 0.0 110.038 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.7 p -74.42 -30.26 61.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.854 -178.371 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -86.1 -6.21 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 110.743 -177.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 58.92 33.61 23.14 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.64 172.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.131 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.19 72.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.118 -172.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.78 -43.16 97.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.39 176.515 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -78.76 -25.59 44.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.692 0.282 . . . . 0.0 110.432 -177.137 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -65.78 -53.08 45.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.972 177.482 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.66 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.245 177.282 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 73.4 t80 -69.28 -31.42 69.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.759 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -69.24 -40.44 77.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.248 -178.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.99 -45.96 84.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.752 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -64.52 -44.79 89.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -66.27 -39.18 89.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.244 -175.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.03 -41.91 98.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -75.65 -48.17 23.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.407 -171.4 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -67.12 -18.86 65.49 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.712 0.292 . . . . 0.0 111.153 -177.764 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.64 -33.84 75.85 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 110.594 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -114.93 -29.9 6.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.153 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -133.15 65.05 1.6 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.342 -171.264 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -83.9 -25.71 29.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 110.2 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.7 m -63.62 -39.18 93.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.597 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 tp -66.1 -35.92 81.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.392 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.04 -41.13 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.24 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.28 -45.91 89.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.954 178.109 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.23 -29.76 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.585 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.459 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 46.8 t -56.1 -43.11 77.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.981 -179.343 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.2 pt -92.4 1.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.923 0.392 . . . . 0.0 111.414 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.663 -179.583 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.448 -0.552 0 CA-C-O 120.859 0.362 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.9 p -77.57 179.43 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 177.544 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -54.74 -41.7 70.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 177.573 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.6 -43.17 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -178.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.73 -41.88 97.99 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.151 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.708 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.7 tp -58.63 -45.89 88.27 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.765 -178.562 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.53 -31.08 71.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.17 0.509 . . . . 0.0 110.719 -176.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -64.44 -49.3 72.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.501 177.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.94 -36.2 82.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.1 -177.16 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 29.8 mtm180 -64.83 -35.3 80.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.463 -179.58 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.2 m -64.91 -44.22 90.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 0.0 110.731 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -45.2 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 177.292 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.02 -34.05 77.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.882 178.655 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.73 -51.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 179.021 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 t -64.04 -40.26 95.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.444 -179.216 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -71.26 -44.63 64.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.653 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.13 9.9 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.096 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 m120 53.54 39.7 30.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.894 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.5 mm -66.43 118.14 50.73 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.6 147.83 94.45 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.173 2.582 . . . . 0.0 112.187 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -26.74 48.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.963 -178.082 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.73 -57.55 11.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.774 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -63.23 -39.95 96.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.609 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.88 -42.0 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.243 0.544 . . . . 0.0 110.693 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -33.43 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.519 178.617 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.9 mttm -65.59 -42.98 91.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.207 175.015 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -68.85 -11.31 60.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.863 -178.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -78.36 -23.09 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.811 174.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 16.1 ptmt -109.49 9.02 25.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.314 -179.201 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.5 m95 57.08 54.07 7.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.73 -175.058 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' HD3' ' A' ' 38' ' ' PRO . 36.0 tt0 -119.68 110.78 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.62 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.18 91.19 22.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.498 -176.394 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 36' ' ' GLU . 26.3 Cg_exo -65.24 151.91 83.85 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.798 2.332 . . . . 0.0 112.591 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -75.46 91.66 2.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.764 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.0 t70 -156.01 142.36 18.44 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.335 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.15 -25.28 65.4 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.426 -175.407 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.3 m -59.45 -56.62 19.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.486 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.4 m -60.03 -34.74 73.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.158 178.598 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.5 mtt -67.19 -51.59 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.531 -174.9 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.1 m -65.81 -29.1 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.703 0.287 . . . . 0.0 110.603 178.615 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.433 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 29.0 t80 -60.86 -50.82 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 175.683 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.47 -40.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.823 178.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -61.52 -48.59 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.222 -178.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -57.91 -49.52 76.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.373 178.46 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.96 -47.2 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.367 0.603 . . . . 0.0 111.158 -177.394 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.9 m-30 -67.38 -27.11 66.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.993 -178.11 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -80.06 -39.31 30.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.564 -177.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -71.76 -30.83 66.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.0 mtm -82.24 4.84 21.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 175.661 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 53.91 48.54 21.02 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.596 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.433 HD22 HD23 ' A' ' 68' ' ' LEU . 6.9 mt -117.85 -17.12 9.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.533 -177.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 74.5 t80 -141.91 141.23 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.768 178.277 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 25.4 t70 -127.9 146.67 50.55 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.356 177.402 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.67 -9.81 59.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.211 -0.306 . . . . 0.0 111.34 -176.264 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.537 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 23.2 m -96.49 -64.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.124 176.798 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.54 -18.66 54.36 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.744 0.307 . . . . 0.0 111.646 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.22 -144.62 20.92 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.988 -175.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.38 123.51 11.58 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.295 1.997 . . . . 0.0 111.616 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -81.63 88.84 6.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.669 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.9 t -49.75 -44.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.517 -174.594 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.13 -51.44 69.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.756 -177.531 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.27 -35.37 77.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.516 178.405 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.433 HD23 HD22 ' A' ' 56' ' ' LEU . 19.0 mt -58.78 -49.85 76.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.362 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.72 -37.25 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -61.95 -31.51 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 0.0 110.635 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -89.34 -57.16 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.942 -177.701 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -64.38 -44.2 92.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.53 -174.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.94 0.12 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.47 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -68.86 99.71 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.697 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.35 29.74 55.48 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.172 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -147.07 160.76 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.412 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -65.22 106.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.378 0.609 . . . . 0.0 111.751 -175.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.03 -32.58 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.065 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.21 -47.91 83.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.239 179.308 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.8 mt-10 -67.56 -45.89 74.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.308 178.893 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.68 -48.77 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.51 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -58.17 -42.84 86.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 177.245 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -61.61 -53.92 49.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.081 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.3 mt-10 -60.97 -36.17 78.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.049 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.7 t -61.54 -50.65 79.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.643 0.259 . . . . 0.0 110.867 173.876 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.96 -31.53 66.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.813 -177.656 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -69.4 -14.45 62.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.141 0.496 . . . . 0.0 110.916 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -108.85 -5.95 16.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 85' ' ' VAL . 93.0 t -82.66 108.44 15.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -106.55 167.07 10.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.322 178.267 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -87.93 157.67 18.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.924 177.396 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 59.2 t30 -78.93 75.03 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.145 0.498 . . . . 0.0 111.27 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 56.2 p -90.33 -18.68 25.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.297 174.559 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.425 ' CG ' HH12 ' A' ' 103' ' ' ARG . 3.9 m-20 -73.89 -31.15 62.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.205 -176.606 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 66.0 21.17 11.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.847 -176.765 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.79 117.47 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 174.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.37 -30.85 70.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.863 -175.548 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.83 -44.04 91.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.569 0.224 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -79.6 -26.79 41.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.028 0.442 . . . . 0.0 110.279 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -68.1 -54.34 18.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.334 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.485 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -63.78 -37.66 88.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.972 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.457 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 76.7 t80 -66.18 -35.23 79.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.265 -176.277 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 103' ' ' ARG . 34.9 ttp180 -71.95 -34.45 69.01 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.221 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.51 70.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.588 176.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.39 -47.21 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.808 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -62.23 -40.29 95.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.017 -177.215 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.44 -45.79 92.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.97 178.313 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -74.07 -46.35 43.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.15 -173.003 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -66.23 -29.87 70.21 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.786 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.58 -18.83 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 110.743 -177.088 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -118.45 -31.97 4.76 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.381 -178.576 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.9 m-20 -134.63 57.41 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.69 -173.079 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 67.6 tp -76.34 -33.79 58.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.914 0.387 . . . . 0.0 111.051 -178.115 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -65.34 -31.13 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.079 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.36 -35.67 76.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 176.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 112' ' ' ASN . 58.9 mt -68.38 -43.47 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.6 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.05 -35.89 81.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.981 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.65 73.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.046 176.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -57.06 -44.94 83.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.761 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.17 0.05 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.59 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 121.163 0.506 . . . . 0.0 111.103 -179.343 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.74 0.305 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -76.19 -172.83 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.297 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 m -50.24 -55.02 17.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.115 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -43.2 94.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.349 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -62.28 -42.1 99.06 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.693 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.8 tp -60.91 -48.14 83.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -59.76 -34.28 72.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.359 0.599 . . . . 0.0 110.412 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.2 ttp-105 -67.32 -40.78 85.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.725 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.28 -36.56 74.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.693 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 42.7 mtm180 -64.27 -29.36 70.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.063 -178.713 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.0 m -60.63 -50.52 73.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.089 0.471 . . . . 0.0 110.906 177.21 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.67 -40.22 84.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.576 -176.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.34 -34.15 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.577 0.227 . . . . 0.0 111.181 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.86 -52.25 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 110.704 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -66.09 -29.49 69.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.609 -177.301 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 m -83.41 -45.7 13.38 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -176.827 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -84.98 11.35 9.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.63 0.252 . . . . 0.0 111.678 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 54.79 38.37 30.09 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.422 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.0 mm -70.71 123.17 88.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.185 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -62.46 144.04 94.19 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.751 2.301 . . . . 0.0 111.881 178.428 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.41 -34.27 61.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.719 177.885 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.71 -54.45 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.449 174.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -60.83 -37.63 82.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.654 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.6 -43.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.579 -178.732 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.1 mt-10 -66.05 -31.1 71.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.524 179.093 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -65.31 -48.94 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.731 177.449 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -57.92 -32.45 67.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -178.512 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.79 -36.49 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.448 . . . . 0.0 110.181 176.057 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -92.79 17.9 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.248 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.9 m95 51.46 43.39 29.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.055 -174.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -106.05 112.95 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.93 175.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -116.24 91.7 33.48 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.899 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 146.09 85.14 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.932 2.421 . . . . 0.0 113.079 177.496 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.45 81.35 8.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.971 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 44' ' ' MET . 3.4 p30 -157.02 161.9 39.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.851 176.323 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.54 -22.83 67.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.025 -0.988 . . . . 0.0 112.502 -167.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.2 m -63.23 -59.59 4.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 178.003 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.457 ' O ' HG12 ' A' ' 47' ' ' ILE . 40.7 m -57.01 -34.65 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.013 177.779 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.1 mtt -66.89 -52.53 42.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.055 -174.711 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.56 -29.35 69.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.196 0.522 . . . . 0.0 110.148 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.546 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 25.2 t80 -61.03 -44.35 97.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.702 175.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 43' ' ' THR . 29.8 mm -61.23 -41.91 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.77 -178.455 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 2.1 ptmt -69.63 -40.61 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.065 -177.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.1 t -56.27 -46.76 79.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.749 177.834 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.08 -44.11 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 110.689 179.059 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.557 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -68.17 -20.27 64.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.211 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -78.52 -43.4 26.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.611 175.369 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -65.91 -29.92 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.06 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.454 ' SD ' HD13 ' A' ' 11' ' ' LEU . 97.0 mtp -89.91 -4.58 57.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.365 -178.46 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 59.38 57.39 3.38 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.188 -177.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 6.5 mt -129.36 -21.05 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.838 -174.881 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.557 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.4 t80 -135.3 137.52 42.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 30.3 t70 -113.82 138.71 49.91 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.71 -19.61 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.12 0.486 . . . . 0.0 110.333 -173.208 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.467 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 53.3 m -91.28 -64.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.82 179.031 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -79.64 -13.15 59.7 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 -151.24 23.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.462 -179.168 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.35 123.54 14.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 123.239 2.626 . . . . 0.0 111.902 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -85.63 92.45 8.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.222 0.534 . . . . 0.0 110.084 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 82.2 t -49.25 -44.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.96 -174.769 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.81 -51.56 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.672 0.273 . . . . 0.0 111.307 -176.11 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.47 -35.04 79.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 178.271 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 18.8 mt -61.16 -45.26 95.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.46 -179.474 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 99.5 t -68.77 -38.77 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 178.092 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -65.23 -28.58 69.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 74' ' ' HIS . 50.7 tp60 -87.1 -60.09 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.764 -179.496 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 97.6 mt -65.49 -50.55 64.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.995 -176.407 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -79.0 26.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.519 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 71' ' ' GLN . 3.8 t60 -75.87 89.38 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.43 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.93 28.63 6.83 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.815 -174.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -157.21 169.04 25.67 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.002 0.521 . . . . 0.0 109.882 178.019 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.45 121.59 14.75 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.662 0.744 . . . . 0.0 111.109 -178.805 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.39 -37.83 86.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.383 -175.43 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -43.52 79.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.461 -174.537 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.24 -50.9 72.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 175.815 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.55 -47.36 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.285 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -54.52 -44.49 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 177.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 m -61.34 -53.36 57.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.295 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.76 -36.02 81.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.781 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.8 t -59.96 -49.98 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 174.024 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.02 -31.18 66.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.798 -178.076 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -75.01 -11.15 60.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.395 0.617 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.04 -8.14 17.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.301 177.342 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 85' ' ' VAL . 97.7 t -80.0 100.29 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.661 175.192 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.46 170.67 7.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.864 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -86.03 150.55 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.102 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -76.32 64.59 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.594 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -76.43 -18.56 58.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.142 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -73.89 -21.01 60.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.157 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 64.08 19.54 11.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.463 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -135.62 117.6 15.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.51 75.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.333 -173.144 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.6 m -63.75 -40.32 96.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.634 178.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' A' ' 103' ' ' ARG . 49.5 t-80 -77.46 -24.89 50.18 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.289 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -67.92 -51.73 44.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.897 0.38 . . . . 0.0 110.542 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.59 90.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.29 177.627 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.7 -27.54 65.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.484 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 72.1 ttt180 -69.82 -46.12 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.95 -178.125 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.58 -46.34 90.39 Favored Glycine 0 C--N 1.33 0.242 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.942 178.487 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.64 -45.71 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.028 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.38 -32.67 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.313 -175.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 110' ' ' LYS . 13.4 t -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.035 0.445 . . . . 0.0 111.424 178.421 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.411 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 34.7 t80 -72.16 -44.01 63.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -173.119 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.42 -23.28 67.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.805 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 107' ' ' CYS . 23.5 tptm -61.88 -28.96 69.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -120.22 -28.68 5.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -175.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -136.15 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -172.468 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.63 -29.13 45.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.107 0.479 . . . . 0.0 110.67 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 p -61.57 -39.59 91.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.6 tp -67.03 -34.22 77.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.95 -41.25 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.094 178.822 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.39 -39.77 74.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.088 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.92 -36.95 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.218 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.3 p -61.39 -38.55 87.45 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.3 pt -87.99 -10.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.279 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.971 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.75 0.309 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -78.33 -174.16 3.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -58.54 -39.59 80.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.741 0.305 . . . . 0.0 111.07 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.56 -45.67 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.413 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -63.47 -39.37 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 110.168 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -63.03 -36.16 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.026 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.27 -21.98 63.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.033 0.444 . . . . 0.0 110.578 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 20.0 tpp180 -76.48 -53.56 7.94 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.27 -41.3 98.34 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.181 -178.179 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -33.23 75.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.84 -176.373 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -62.16 -51.88 66.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.823 176.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 7.4 mt-10 -65.67 -39.98 91.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.867 -176.172 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.16 -34.51 78.24 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 120.673 0.273 . . . . 0.0 110.75 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.23 -51.55 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 t -66.64 -31.98 73.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.693 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.8 m -76.83 -48.73 17.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.035 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.4 mt -83.83 10.78 8.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.423 -176.278 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 54.04 34.94 20.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.526 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.05 117.98 41.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.489 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.65 144.19 97.87 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.119 2.546 . . . . 0.0 112.188 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.24 -36.13 63.21 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.947 -176.675 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.46 -48.61 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.431 0.457 . . . . 0.0 111.128 177.781 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -62.76 -39.05 92.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.61 -45.75 82.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.281 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.7 mt-10 -61.71 -41.12 97.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.57 -26.78 61.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.61 -176.279 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.444 ' CE2' HG23 ' A' ' 43' ' ' THR . 20.2 m-85 -79.09 -19.79 50.35 Favored 'General case' 0 C--O 1.226 -0.173 0 O-C-N 122.131 -0.355 . . . . 0.0 110.358 176.877 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -79.17 -11.85 59.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.446 0.641 . . . . 0.0 109.609 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -105.29 19.73 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.339 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.5 m95 50.33 47.88 23.16 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.085 -177.206 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -120.33 115.16 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.312 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.96 82.55 55.8 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 -176.698 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.87 155.55 63.31 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.117 2.545 . . . . 0.0 112.671 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.51 89.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.914 177.253 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.624 ' O ' ' HG3' ' A' ' 44' ' ' MET . 13.4 t70 -150.31 142.64 24.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.392 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.8 -26.29 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.667 -173.758 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -68.94 -47.8 64.8 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.467 0.651 . . . . 0.0 109.62 178.206 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.444 HG23 ' CE2' ' A' ' 32' ' ' PHE . 18.7 m -61.88 -36.35 81.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.927 178.1 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -66.82 -50.45 62.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.762 -174.488 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.27 -30.48 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.7 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.16 -49.84 76.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.472 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -61.07 -37.14 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.836 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.488 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.41 -55.16 36.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.135 179.687 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 t -54.61 -46.88 73.91 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.507 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.1 -48.58 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.171 0.51 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.73 -24.44 66.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.096 -177.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -79.34 -40.99 28.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.281 -179.212 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -75.85 -20.27 58.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.29 -178.749 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.5 mtp -88.17 5.81 39.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.533 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 56.71 42.47 26.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.117 -178.303 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD22 HD23 ' A' ' 68' ' ' LEU . 9.4 mt -119.99 -16.71 8.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.21 -173.637 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -144.44 137.77 27.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.946 179.108 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -127.37 146.19 50.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.559 -179.186 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.89 -24.98 66.17 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.884 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.1 m -94.36 -65.12 1.01 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.444 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.89 -15.29 61.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.034 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.67 -150.31 31.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.992 -177.481 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.82 119.85 7.37 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 0.0 111.32 176.078 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.64 88.58 5.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.117 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 69' ' ' VAL . 75.8 t -49.05 -44.82 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.445 -174.503 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.63 -54.03 51.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.76 0.314 . . . . 0.0 111.411 -177.452 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -65.86 -31.63 72.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 179.111 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.458 HD23 HD22 ' A' ' 56' ' ' LEU . 17.9 mt -63.44 -40.13 96.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.223 179.54 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 65' ' ' VAL . 88.9 t -72.05 -43.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 177.249 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -64.33 -22.53 66.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 0.0 111.056 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.571 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 53.9 tp60 -90.19 -60.92 1.8 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.124 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' C ' ' H ' ' A' ' 74' ' ' HIS . 91.8 mt -67.19 -41.88 85.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.595 -174.211 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -71.83 35.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.9 t-160 -64.03 82.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.355 0.662 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.41 35.83 9.21 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.197 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -148.88 169.68 19.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.565 0.182 . . . . 0.0 110.852 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 81' ' ' VAL . 35.3 m-20 -59.89 102.58 0.16 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.552 0.533 . . . . 0.0 111.168 178.933 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.58 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.701 -178.704 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.59 -40.32 91.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.386 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.93 -43.67 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 109.889 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 77' ' ' ASP . 78.8 t -57.43 -46.31 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.455 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -53.21 -42.63 66.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 177.27 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.7 m -63.52 -54.32 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.51 -177.5 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -59.71 -36.75 77.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.78 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.4 t -60.67 -50.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.689 0.28 . . . . 0.0 111.086 174.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.35 -31.23 65.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -178.033 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.54 -13.52 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.336 0.588 . . . . 0.0 110.753 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -107.55 -4.15 18.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.281 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 85' ' ' VAL . 87.2 t -84.02 111.58 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.757 174.569 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.2 175.26 7.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.89 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -85.19 153.1 22.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.438 -178.157 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -77.68 69.3 3.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.43 -179.718 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -79.13 -19.48 51.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -77.68 -19.4 55.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.138 0.494 . . . . 0.0 110.334 178.574 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.09 25.39 14.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.621 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -140.19 122.65 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.888 -178.724 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.04 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.599 -172.292 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 70.2 m -62.4 -41.19 98.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.467 178.598 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -77.68 -29.46 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -177.439 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -66.12 -51.4 58.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.456 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.24 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.512 . . . . 0.0 110.583 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.417 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.6 t80 -67.95 -30.75 70.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 -178.771 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -64.35 -49.31 72.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.106 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.08 98.28 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.988 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.17 -46.55 80.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.755 0.312 . . . . 0.0 111.03 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.45 -41.51 88.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -176.134 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.57 -44.35 89.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.213 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 26.2 t80 -75.88 -46.5 29.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.143 -173.483 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.82 -24.41 67.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.57 -31.44 70.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.806 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -115.0 -30.4 6.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.343 -177.118 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -135.15 61.33 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -171.522 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -76.69 -29.61 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.248 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.6 t -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.774 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.9 tp -69.3 -31.42 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.218 -178.657 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.02 -42.38 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.015 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.8 -42.66 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.8 177.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.02 -29.25 65.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.355 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.571 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 47.5 t -56.72 -44.12 81.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.934 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.4 pt -94.97 -3.89 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.941 0.4 . . . . 0.0 111.409 -177.8 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 tttm . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.377 -177.706 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.7 p -80.21 179.57 7.59 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.458 177.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -52.91 -44.4 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 177.517 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.63 -42.79 97.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.107 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.07 -38.47 85.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.166 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.5 -30.25 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.61 -30.39 71.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.717 177.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 98.8 mtt180 -69.59 -58.39 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.045 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -59.19 -31.39 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.232 -176.149 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 39.1 mtt180 -54.47 -53.13 58.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.343 178.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -66.34 -42.07 88.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.507 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.9 mt-10 -60.61 -33.39 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.461 -178.651 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.8 m -83.68 -37.23 23.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.261 178.209 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -53.52 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -64.91 -23.21 67.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.757 -179.146 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.8 t -86.47 -47.3 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.289 . . . . 0.0 110.984 -177.23 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.59 12.3 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.499 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 55.19 37.25 28.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.487 -179.135 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.44 117.59 56.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.013 179.114 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -61.93 141.11 88.39 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.396 2.064 . . . . 0.0 111.47 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.17 -30.2 48.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.798 178.862 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -48.58 -49.74 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.296 175.329 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.7 m-85 -67.21 -38.87 86.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.61 177.39 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.66 -42.45 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.4 mt-10 -61.61 -35.78 78.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.153 0.502 . . . . 0.0 110.283 177.561 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 92.5 mttt -67.53 -47.06 71.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.751 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 14.1 m-85 -58.83 -36.13 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.431 . . . . 0.0 110.917 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -59.61 -40.68 88.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.909 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 50.7 pttt -92.77 23.04 4.35 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.8 m95 53.81 48.42 21.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.49 178.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.78 109.53 13.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -114.89 98.01 48.98 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.402 -176.511 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.84 142.25 92.81 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.483 2.122 . . . . 0.0 112.304 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.04 83.35 3.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.785 0.802 . . . . 0.0 109.817 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.7 t70 -149.11 148.17 29.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.155 -176.282 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.66 -22.17 65.07 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.893 -172.269 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.7 m -65.01 -55.64 17.77 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.399 0.619 . . . . 0.0 110.13 176.16 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.449 HG23 ' CE1' ' A' ' 32' ' ' PHE . 22.7 m -59.48 -33.55 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.148 178.719 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.42 -50.88 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.759 -173.712 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.88 -28.59 68.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.414 178.438 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.516 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 t80 -60.15 -50.51 73.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 110.181 174.806 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mm -60.26 -39.65 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.453 178.266 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -60.35 -54.75 41.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.429 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.8 t -55.98 -47.97 76.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.637 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -43.52 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.016 0.436 . . . . 0.0 110.943 -179.225 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.5 m-30 -65.7 -24.54 67.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -77.93 -43.61 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 177.486 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -69.2 -27.06 65.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.288 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 91.1 mtp -87.53 0.32 55.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.074 0.464 . . . . 0.0 110.75 177.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 55.02 46.94 23.2 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.514 -178.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.4 mt -117.64 -14.05 10.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.044 -175.151 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 88.0 t80 -138.94 143.32 38.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.313 179.246 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 27.5 t70 -127.78 139.82 52.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.99 177.664 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.75 -26.85 66.02 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.033 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.43 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 43.8 m -93.58 -65.68 0.97 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.673 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.66 -146.09 22.2 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.732 -174.684 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 123.74 14.39 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.96 2.44 . . . . 0.0 112.017 177.012 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.46 93.27 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.951 -179.654 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 73.8 t -51.67 -45.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.519 -174.074 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.0 -56.78 17.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.613 0.244 . . . . 0.0 111.159 -177.54 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.14 -33.65 73.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 0.0 110.624 179.008 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.95 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.377 179.33 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 65' ' ' VAL . 60.2 t -70.03 -42.67 79.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.651 177.558 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -58.33 -33.16 69.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.859 0.361 . . . . 0.0 111.211 178.742 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -85.57 -60.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -178.023 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 91.7 mt -64.15 -42.17 96.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.615 -173.325 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.72 35.18 0.09 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.43 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' A' ' 72' ' ' LEU . 60.5 t-80 -61.66 88.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.16 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.03 33.55 32.66 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.577 179.116 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -145.56 169.52 18.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.416 0.15 . . . . 0.0 110.937 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.19 105.66 0.3 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.997 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.23 73.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.333 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.8 -46.4 82.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.57 -48.09 82.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.205 0.526 . . . . 0.0 110.047 177.062 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.4 -48.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.344 179.179 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -55.06 -45.23 75.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.485 177.283 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -63.54 -47.02 83.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.787 -177.682 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.49 -42.87 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.395 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 89' ' ' VAL . 36.4 t -58.07 -52.35 59.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.239 176.669 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.0 mt -58.45 -29.69 66.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.59 -20.16 63.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.55 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.3 m -104.65 -13.56 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.925 -179.085 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.6 t -69.86 124.25 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.541 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -141.53 168.24 20.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.662 -176.522 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -88.55 152.45 21.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.821 -175.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -81.43 67.08 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.503 0.668 . . . . 0.0 110.549 -177.463 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.3 p -78.11 -26.87 48.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.031 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD1' ' A' ' 99' ' ' HIS . 8.3 p-10 -80.91 -13.23 59.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 -178.152 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.1 t30 66.09 40.16 4.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.634 169.32 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 171.448 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.108 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.2 m -61.92 -38.4 88.26 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.589 -0.444 . . . . 0.0 109.807 174.145 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.412 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 26.9 t-80 -83.24 -24.71 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.329 -177.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -63.91 -53.8 44.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.745 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.63 87.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 177.29 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -68.09 -33.65 74.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.93 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -73.23 -37.05 66.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.21 -177.39 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.09 94.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.334 175.235 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -64.97 -49.16 71.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.545 -0.328 . . . . 0.0 110.933 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.105 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.53 -44.37 96.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.289 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -74.87 -48.37 25.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.935 -173.474 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -19.17 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.482 -178.69 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.18 -30.51 70.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.485 . . . . 0.0 110.447 178.106 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.97 -34.61 5.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.286 -175.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -134.83 68.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.708 -171.167 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.29 -33.45 20.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 111.448 -177.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 m -66.15 -31.3 72.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -178.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.89 -35.8 81.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.264 0.554 . . . . 0.0 109.786 174.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.61 -42.04 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.129 179.526 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.81 -40.11 94.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.718 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.92 -33.66 66.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.141 -178.073 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.448 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 88.9 p -62.08 -38.2 87.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.578 -177.137 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.6 pt -92.05 1.16 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 111.199 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.72 -179.918 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.3 p -67.01 176.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.848 -174.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 4.6 m -55.23 -41.77 72.53 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 176.147 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.186 178.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.43 -40.01 96.03 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.996 0.426 . . . . 0.0 110.001 176.719 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 67.1 tp -62.93 -35.04 78.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.558 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 98.3 mt-30 -67.01 -19.26 65.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.571 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -75.29 -42.99 53.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.513 178.019 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.84 -21.33 57.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG3' ' HA ' ' A' ' 12' ' ' GLN . 13.1 mmm180 -50.27 -65.87 0.49 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.787 172.668 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -53.95 -48.68 70.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.212 -178.033 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -54.15 39.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.036 0.446 . . . . 0.0 110.887 -178.048 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.13 -32.33 66.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -177.589 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -66.78 -53.48 34.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.682 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -63.84 -38.96 93.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.361 -177.902 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.4 m -75.47 -44.68 42.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -176.37 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.33 8.11 19.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -177.28 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 56.14 33.99 23.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.511 178.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -62.48 122.51 74.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -59.74 139.88 90.72 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.605 2.204 . . . . 0.0 111.545 177.793 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -33.46 62.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.731 -177.188 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.17 -52.21 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 176.424 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -58.3 -38.88 77.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 177.149 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.72 -48.02 84.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.4 mt-10 -62.78 -36.86 84.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.387 0.613 . . . . 0.0 110.019 178.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.571 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.11 -37.66 69.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.377 -176.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.06 -31.95 73.13 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.228 0.537 . . . . 0.0 110.022 175.766 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.115 178.287 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -89.39 21.43 3.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.075 178.731 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.7 m95 51.64 41.91 29.24 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.242 -176.923 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 61.4 mt-10 -104.41 109.83 21.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.647 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -119.34 85.4 31.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.433 -179.088 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -63.1 155.02 63.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.906 2.404 . . . . 0.0 112.209 175.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.84 81.58 5.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.945 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.5 t70 -145.8 143.56 29.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.224 -177.316 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.03 -30.49 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.669 -174.297 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.0 m -60.51 -56.34 22.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.169 0.509 . . . . 0.0 110.359 177.13 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -56.08 -36.9 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.044 176.028 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -67.29 -47.45 70.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.417 -176.086 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.75 -31.98 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.85 -50.15 74.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.223 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.02 -40.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 14.4 tmtt? -60.2 -52.67 64.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.473 -179.154 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.74 -48.14 82.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.685 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.3 -47.94 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.867 0.365 . . . . 0.0 111.407 -177.661 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -63.09 -28.96 70.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 110.668 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.59 -42.87 61.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.498 177.651 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -72.1 -23.6 61.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.243 -176.649 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -89.0 5.16 45.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.306 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.53 41.18 26.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.435 -178.511 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD22 HD23 ' A' ' 68' ' ' LEU . 7.4 mt -119.13 -17.1 9.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 -174.657 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.0 t80 -139.73 137.64 35.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.953 179.194 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.0 t70 -121.81 142.58 50.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.112 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.79 -12.45 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.789 0.328 . . . . 0.0 111.188 -173.153 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.432 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 19.0 m -98.55 -62.12 1.28 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.008 177.45 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.66 -27.0 61.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.515 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 -152.56 20.8 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.849 -174.793 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.09 124.51 16.38 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.952 2.435 . . . . 0.0 111.624 176.143 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -82.99 85.49 7.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.5 t -49.38 -42.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.307 -174.662 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.01 -54.45 46.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.297 -177.794 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.4 -34.34 77.96 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 177.675 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 HD22 ' A' ' 56' ' ' LEU . 17.7 mt -60.46 -45.3 94.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.45 -179.477 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.7 t -68.66 -42.21 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 110.605 177.616 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -60.93 -28.42 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.29 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.552 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 5.9 tp60 -90.26 -58.5 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.408 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.663 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 98.7 mt -64.85 -36.18 83.51 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -174.238 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -77.74 33.91 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.813 178.031 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.83 79.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.986 178.856 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.55 27.27 8.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.244 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.401 ' HD2' HD13 ' A' ' 115' ' ' LEU . 25.8 mtt180 -145.87 163.59 34.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.5 . . . . 0.0 111.58 -179.407 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.13 110.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.732 177.167 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.73 74.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.123 -176.332 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.32 -45.89 91.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.337 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -61.26 -46.75 89.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.086 0.469 . . . . 0.0 110.369 176.398 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -59.24 -50.02 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.709 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -56.7 -44.2 81.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.714 0.292 . . . . 0.0 110.676 179.015 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -63.3 -51.77 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.63 -37.86 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.488 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' VAL . 30.9 t -61.61 -50.89 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.711 174.217 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.63 -32.67 69.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.756 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -17.26 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 110.759 177.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.38 -14.58 16.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.374 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 85' ' ' VAL . 65.1 t -79.09 120.44 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.541 174.896 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -145.77 -179.35 6.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.081 178.551 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -77.04 157.63 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.259 0.552 . . . . 0.0 111.338 -174.085 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -79.23 72.0 5.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.509 179.074 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.6 p -78.1 -19.3 54.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.482 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.11 -17.08 57.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 61.23 20.99 11.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.724 -179.832 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -141.25 127.26 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.38 -34.75 78.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.276 -173.562 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 64.3 m -62.85 -39.47 94.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 109.988 176.404 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -75.41 -32.2 60.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.049 -178.685 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -69.98 -52.07 27.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.662 -176.135 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.404 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -62.89 -36.25 82.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.323 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.45 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 68.4 t80 -70.46 -27.85 64.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.588 -179.316 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -68.56 -42.12 78.79 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.76 -42.63 93.01 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.55 178.173 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.553 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 20.6 t80 -65.04 -46.35 81.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.6 -179.249 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -55.35 -54.38 44.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.54 -41.37 80.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.785 -176.017 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.55 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.7 t80 -76.93 -47.0 22.23 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.624 -173.21 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 105' ' ' PHE . 6.1 pt20 -66.28 -21.85 66.29 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.969 0.414 . . . . 0.0 110.767 -177.838 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 110' ' ' LYS . 1.5 tmtp? -63.71 -30.6 71.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.004 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -110.55 -30.61 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.5 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.506 ' O ' HG13 ' A' ' 116' ' ' ILE . 89.0 m-20 -137.0 66.12 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.209 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.2 tp -82.9 -36.8 25.01 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.925 178.611 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.0 m -63.72 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.778 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.401 HD13 ' HD2' ' A' ' 76' ' ' ARG . 58.9 tp -66.53 -37.32 84.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.377 177.017 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 112' ' ' ASN . 65.4 mt -62.16 -42.89 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.008 179.155 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.92 -32.03 73.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.829 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.83 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.646 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.663 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 19.5 m -61.98 -40.38 95.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.234 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.4 pt -90.84 4.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.282 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.045 0.45 . . . . 0.0 110.853 -178.019 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.2 p -76.82 -179.88 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 m -58.64 -38.92 79.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.008 0.433 . . . . 0.0 110.586 177.798 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.73 -46.35 90.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.752 177.863 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.63 -40.94 98.57 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.975 0.417 . . . . 0.0 110.081 177.065 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.5 tp -59.15 -42.37 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.416 -176.642 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -60.11 -34.22 73.19 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.187 0.518 . . . . 0.0 110.892 -178.178 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.5 ttp-105 -65.04 -44.25 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.647 178.491 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -73.1 -34.93 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.816 -174.6 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 8.5 mtm180 -63.8 -39.44 94.24 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.441 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -59.24 -50.5 73.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.279 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.8 mm-40 -64.28 -44.14 92.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.52 -52.11 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.914 0.388 . . . . 0.0 110.613 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 p -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.563 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.7 t -72.43 -45.96 57.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.695 0.283 . . . . 0.0 110.94 -177.529 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.71 6.85 29.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.382 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 m120 54.51 35.57 23.7 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.793 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.2 mm -63.79 123.15 80.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.297 178.487 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -62.84 137.4 62.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.514 2.142 . . . . 0.0 111.437 177.749 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.6 -32.62 59.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.949 -172.784 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.09 -44.84 91.96 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.002 0.189 . . . . 0.0 111.261 -178.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.6 m-85 -60.12 -42.54 95.0 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-O 120.792 0.33 . . . . 0.0 110.726 174.509 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.74 -46.74 86.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.747 -175.085 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.7 mt-10 -63.35 -37.51 87.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.201 178.467 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -74.44 -23.88 58.99 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.931 -174.27 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 23.3 m-85 -69.28 -32.54 71.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 177.318 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -70.38 -19.15 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.716 -178.275 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -86.37 9.73 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.169 175.284 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.451 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 99.5 m95 60.68 45.16 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.989 -178.733 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.66 109.89 13.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.196 176.682 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -114.27 96.04 41.21 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.575 -176.421 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.05 146.05 98.2 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.742 2.295 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.46 81.01 5.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.614 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -146.62 146.51 30.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.34 -175.353 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -48.28 -42.91 32.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.432 0.458 . . . . 0.0 111.925 -176.244 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.5 m -52.52 -58.32 7.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.376 -178.796 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.408 HG23 ' CE2' ' A' ' 32' ' ' PHE . 21.7 m -59.84 -33.15 71.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.337 179.51 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.84 -52.95 30.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.961 -173.86 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.2 m -63.96 -30.6 71.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.292 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -61.46 -50.36 73.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.4 mm -59.14 -40.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.948 178.889 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -49.11 74.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 t -58.29 -47.53 83.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.504 177.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.9 -48.91 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 121.058 0.456 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-30 -63.89 -26.39 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.787 -178.415 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -76.71 -40.05 49.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.307 -179.623 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -75.51 -19.39 59.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.246 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.0 7.72 36.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.487 178.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 55.48 40.85 31.29 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.182 -178.405 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.439 HD22 HD23 ' A' ' 68' ' ' LEU . 6.8 mt -120.61 -20.96 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.477 0.656 . . . . 0.0 110.966 -174.883 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 62.8 t80 -140.02 133.98 30.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.078 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.24 133.31 46.0 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 177.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.79 -21.09 60.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.775 -173.504 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -110.36 -53.67 2.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.92 -0.45 54.24 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.69 -155.87 35.97 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.836 172.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -61.21 129.29 27.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.048 2.499 . . . . 0.0 111.798 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.5 mt -94.22 92.08 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.356 0.598 . . . . 0.0 109.431 178.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 69' ' ' VAL . 84.0 t -50.62 -44.31 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.768 -172.355 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.98 -54.49 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -177.388 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.06 -35.36 78.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.607 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.439 HD23 HD22 ' A' ' 56' ' ' LEU . 17.4 mt -60.56 -43.8 96.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.537 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 65' ' ' VAL . 60.7 t -69.63 -40.33 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.841 178.566 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -60.71 -31.04 70.34 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.225 178.59 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -88.21 -54.86 3.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 -177.708 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.633 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 96.2 mt -69.03 -48.23 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.102 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.69 33.4 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.633 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -73.46 104.91 4.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.057 -0.402 . . . . 0.0 110.212 175.39 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.48 17.64 54.49 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.542 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HD2' HD13 ' A' ' 115' ' ' LEU . 25.9 mtt180 -145.98 165.37 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.724 0.297 . . . . 0.0 111.459 -178.276 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.76 109.46 1.43 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.501 179.144 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.31 -34.13 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.309 178.346 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.27 -48.85 79.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.236 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 7.2 mm-40 -69.29 -44.86 70.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.6 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.84 -48.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.224 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -57.86 -42.14 83.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.88 0.372 . . . . 0.0 110.589 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -61.77 -53.8 51.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 36.8 mt-10 -58.84 -41.02 85.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.414 178.923 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.8 t -57.9 -49.49 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 175.286 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.14 -29.76 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.905 -178.338 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.04 -16.9 62.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 110.447 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.5 m -103.9 -14.54 15.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.441 -179.494 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.4 t -74.61 128.97 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.775 174.628 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.99 163.47 29.15 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.95 -178.574 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -78.29 157.22 29.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.197 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -81.55 59.19 4.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.469 0.652 . . . . 0.0 110.529 -178.434 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.0 p -77.69 -14.86 59.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.067 175.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 20.6 t70 -77.65 -21.68 51.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.045 178.574 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 61.0 26.49 16.45 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.759 177.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.426 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 19.3 t-20 -146.67 122.49 10.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.142 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.222 -174.436 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 65.0 m -64.11 -47.87 78.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.663 0.268 . . . . 0.0 110.917 -178.543 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.564 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 8.1 t-160 -78.75 -25.92 44.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -176.885 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -64.5 -56.56 13.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 178.628 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . . . -61.72 -37.11 83.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.161 0.505 . . . . 0.0 110.464 179.269 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.446 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 69.9 t80 -67.45 -32.44 73.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.961 -178.712 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 51.9 mtm180 -67.22 -41.14 86.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 179.076 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.99 -47.05 86.89 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.554 178.659 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.82 -46.71 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.455 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -59.14 -47.08 86.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.109 -177.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.6 t -58.97 -43.07 91.3 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.041 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.7 t80 -74.53 -49.83 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.886 -174.613 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -16.94 64.36 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.685 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -69.36 -30.19 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.857 0.361 . . . . 0.0 110.176 177.705 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -115.05 -28.65 6.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.601 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -135.75 68.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.193 -172.767 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.3 tp -88.89 -33.56 17.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.504 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -64.34 -33.74 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.996 0.427 . . . . 0.0 110.102 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 76' ' ' ARG . 56.3 tp -63.91 -40.01 95.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.029 176.915 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -42.97 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.788 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 96.5 mttt -62.01 -40.86 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 178.33 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.37 -29.32 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.834 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.633 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 49.2 m -60.06 -39.18 85.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.818 -178.411 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.8 pt -91.9 -5.43 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.415 -177.542 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.5 p -110.26 176.65 4.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.615 -176.191 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 35.6 m -58.36 -57.69 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -176.791 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.95 -38.83 87.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.012 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -36.45 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.039 0.447 . . . . 0.0 110.145 179.488 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.68 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 52.8 tp -59.19 -39.19 81.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.515 172.886 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 8' ' ' THR . 16.0 mm100 -55.09 -32.61 62.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.183 0.516 . . . . 0.0 111.47 -178.099 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.0 ttt180 -68.5 -46.41 69.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.468 -178.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 36.1 m-85 -67.02 -38.36 85.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.996 -177.552 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.2 mtp180 -58.29 -45.68 87.48 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.908 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -59.05 -51.4 70.22 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.873 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.2 mm-40 -58.59 -41.12 85.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' SG ' HG12 ' A' ' 50' ' ' VAL . 95.2 m -70.4 -30.09 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.331 . . . . 0.0 110.984 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.07 -51.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.283 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 t -66.69 -36.0 81.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.281 -179.294 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 t -72.46 -49.68 31.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.712 0.292 . . . . 0.0 111.335 -176.476 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -87.54 6.49 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.385 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 55.66 39.87 30.91 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.199 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.5 mm -62.51 124.73 83.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.664 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -61.8 141.26 89.63 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.84 2.36 . . . . 0.0 111.28 177.33 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -53.32 -34.96 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.378 -175.584 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.03 -51.11 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.277 0.361 . . . . 0.0 111.246 179.112 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -56.88 -42.72 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.924 176.643 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.7 t -58.12 -45.82 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.419 -177.319 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.6 mt-10 -65.78 -35.89 81.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 110.281 178.075 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HG3' ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -74.87 -27.12 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.104 -174.671 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -69.2 -22.04 63.92 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.39 . . . . 0.0 110.49 178.124 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.16 -27.4 65.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.924 0.392 . . . . 0.0 110.229 178.348 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -96.98 24.6 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.288 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 51.0 42.31 28.28 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.239 -179.515 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 38.7 mt-10 -108.23 112.89 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.276 176.335 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.33 90.26 41.83 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.93 144.21 94.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.777 2.318 . . . . 0.0 112.723 177.537 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -86.84 77.72 9.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.665 -178.357 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.6 OUTLIER -154.34 165.75 35.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.915 179.096 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.31 -42.85 15.28 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.713 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -53.64 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.105 0.479 . . . . 0.0 111.631 -174.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 m -61.12 -33.94 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.585 -178.839 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.529 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.8 mtt -64.54 -54.24 35.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.69 -174.007 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.6 m -67.87 -28.87 67.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' VAL . 41.1 t80 -60.07 -52.23 66.25 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.297 176.481 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.27 -42.69 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.907 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HD2' ' HB1' ' A' ' 97' ' ' ALA . 19.1 ttpp -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -178.018 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -57.44 -50.05 74.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.134 -178.882 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' TYR . 0.6 OUTLIER -70.35 -30.04 41.51 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.335 -175.97 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-85 -71.72 -29.97 65.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.641 179.398 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -72.84 -41.32 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.01 175.623 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 66.1 mttm -71.12 -29.96 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.229 -178.658 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.0 mtp -84.93 1.16 48.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.381 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 57.58 44.21 21.34 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD11 ' HG2' ' A' ' 71' ' ' GLN . 5.8 mt -118.63 -22.3 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.004 -175.552 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 72.3 t80 -133.67 132.66 40.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.108 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -101.78 132.16 47.68 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.381 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.7 -16.62 63.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -171.623 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.9 m -103.56 -60.37 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.153 178.571 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -79.59 -8.56 59.26 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -174.187 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.21 -153.83 26.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.308 -0.949 . . . . 0.0 113.204 177.329 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -60.19 124.48 15.32 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.042 2.495 . . . . 0.0 111.951 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 mt -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.3 t -51.87 -43.94 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.589 -173.814 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.35 -49.46 77.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.627 0.251 . . . . 0.0 111.378 -177.432 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -66.29 -37.06 84.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 178.422 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.404 HD23 HD22 ' A' ' 56' ' ' LEU . 19.2 mt -60.12 -45.69 92.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.255 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -68.74 -44.7 82.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.122 178.639 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -62.22 -26.98 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 111.15 179.097 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.426 ' HG2' HD11 ' A' ' 56' ' ' LEU . 32.5 tp60 -82.28 -60.79 2.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.247 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.07 -49.63 66.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.493 -177.114 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 81' ' ' VAL . . . -81.22 33.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -175.586 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.422 ' NE2' ' HA ' ' A' ' 119' ' ' SER . 1.7 p80 -73.39 82.8 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.135 0.969 . . . . 0.0 110.472 -178.782 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.97 26.71 7.77 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.447 -174.815 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -141.86 169.71 17.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.53 104.51 0.81 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.358 0.599 . . . . 0.0 111.427 178.621 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.75 67.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.206 178.672 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.97 -43.26 96.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.13 -178.627 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -71.08 -46.22 62.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.193 0.52 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 73' ' ' ALA . 71.4 t -60.32 -46.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.746 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.76 -44.52 86.19 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.652 177.385 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 m -59.39 -49.61 77.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.0 -45.55 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 178.178 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.8 t -56.43 -49.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 177.637 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.17 -31.63 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.665 -177.81 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.26 -22.36 66.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 0.0 110.468 178.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.4 m -104.39 -13.4 16.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.329 -175.77 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 85' ' ' VAL . 98.7 t -70.82 113.33 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.985 0.422 . . . . 0.0 109.988 176.044 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -121.64 166.94 13.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.252 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -84.25 153.72 23.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.896 -177.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -79.78 73.81 6.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.586 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.3 p -87.21 -9.49 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.679 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.97 -19.55 25.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 178.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.89 20.63 12.17 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.77 -176.468 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.86 118.78 20.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.725 -178.417 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 48' ' ' LYS . . . -67.13 -34.51 77.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.099 -172.617 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.47 -45.5 93.98 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.957 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -76.65 -24.97 53.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.174 -176.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -69.13 -54.41 15.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.63 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.2 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.281 0.562 . . . . 0.0 110.399 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.65 -30.86 71.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.539 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -66.16 -46.34 77.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.854 0.359 . . . . 0.0 110.435 178.761 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.14 -46.37 94.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.906 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.43 -47.17 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.732 0.301 . . . . 0.0 111.024 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -60.68 -45.48 93.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.201 -177.086 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.32 -43.99 97.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.23 -46.73 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.921 -173.376 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -67.63 -18.32 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.333 . . . . 0.0 111.527 -177.91 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -70.29 -26.12 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.93 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -123.21 -29.65 3.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.821 -175.224 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -133.49 63.71 1.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.158 0.504 . . . . 0.0 110.953 -173.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.37 -25.34 29.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 -178.715 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.0 m -64.92 -39.08 92.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.567 179.367 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.2 -33.02 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.034 0.445 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.55 -45.09 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.977 178.264 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.42 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 177.173 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.2 73.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.731 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.422 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 20.6 t -63.5 -40.2 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.415 -178.649 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.9 pt -98.57 6.13 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.622 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 111.329 -177.011 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 120.747 0.308 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.7 p -82.42 -179.75 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.416 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -57.03 -40.03 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 110.446 178.207 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -58.34 -42.55 87.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.964 178.7 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -76.18 -38.87 56.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 -177.743 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 62.8 tp -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.695 -175.032 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -69.69 -23.63 63.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 110.719 -177.842 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.1 -53.54 24.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.115 177.583 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -66.16 -38.69 88.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.159 0.504 . . . . 0.0 110.743 -178.843 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.681 -179.374 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -60.86 -50.65 72.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.091 176.749 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' HE3' ' A' ' 53' ' ' LYS . 6.5 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.667 -176.817 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 99.8 m -65.62 -33.18 75.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.3 -50.87 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 CA-C-O 121.09 0.471 . . . . 0.0 110.077 178.007 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -62.0 -44.93 95.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.456 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 t -69.58 -48.63 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.704 -175.568 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.76 8.57 11.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 -175.168 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 55.54 37.43 28.87 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.782 0.676 . . . . 0.0 111.349 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.32 122.6 82.34 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.97 143.64 91.51 Favored 'Trans proline' 0 C--O 1.237 0.456 0 C-N-CA 122.735 2.29 . . . . 0.0 111.543 176.3 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.15 -31.22 61.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.11 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.25 -54.3 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.571 175.724 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 44.1 m-85 -64.36 -36.98 85.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.678 179.012 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.67 -44.33 76.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.648 -178.571 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 9.0 mt-10 -64.62 -36.85 85.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.512 179.335 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.7 -46.58 81.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.774 -178.651 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 13.6 m-85 -58.58 -41.22 85.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -61.38 -33.48 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.714 -178.172 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -88.92 17.93 5.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.9 m95 55.54 49.52 16.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.611 -177.781 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -126.82 109.43 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.572 176.694 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -115.73 98.52 51.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -175.325 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -62.79 147.68 94.37 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.97 2.447 . . . . 0.0 113.221 177.266 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.82 80.29 8.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.051 178.364 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.596 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -153.76 159.75 42.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -178.639 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.03 -45.08 51.78 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.077 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -53.38 -60.14 3.68 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.464 0.478 . . . . 0.0 111.386 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.7 m -59.84 -35.41 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.447 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 67.2 mtt -65.69 -53.16 44.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.593 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.45 -27.59 66.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.678 -179.212 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -60.89 -49.85 75.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.25 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.48 -37.72 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.668 178.514 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.4 tmmm? -61.55 -54.32 44.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.367 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.44 -49.14 73.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.579 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.95 -47.7 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 121.164 0.507 . . . . 0.0 110.792 -177.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -67.4 -25.39 65.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.106 -177.633 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -79.67 -39.9 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 mttm -67.8 -33.48 74.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.603 179.264 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.8 mtp -84.8 9.88 12.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.505 -179.148 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 55.8 43.91 26.94 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.61 177.492 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 68' ' ' LEU . 8.9 mt -122.56 -17.61 6.91 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.409 -174.448 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 73.2 t80 -142.95 140.28 31.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 178.78 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -124.11 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.118 178.079 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.16 -17.99 65.07 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.757 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.9 m -100.36 -62.48 1.24 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.488 -179.17 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.22 -15.26 58.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -175.437 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.11 -151.27 28.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.376 -178.195 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -62.61 123.98 13.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.996 2.464 . . . . 0.0 111.847 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -83.41 95.14 8.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.3 t -50.08 -45.91 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.646 -174.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.3 -51.58 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.756 0.313 . . . . 0.0 111.109 -177.345 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -58.44 -37.83 76.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.194 0.521 . . . . 0.0 110.303 177.51 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 56' ' ' LEU . 15.4 mt -61.91 -40.49 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.38 -179.019 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 65' ' ' VAL . 62.0 t -71.68 -40.99 71.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.53 177.451 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -60.12 -29.83 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.661 179.411 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -60.35 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.691 -179.304 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 74' ' ' HIS . 86.3 mt -61.82 -40.45 95.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -174.03 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.76 33.77 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.07 0.462 . . . . 0.0 111.888 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.477 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.6 t-80 -70.77 79.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.793 177.761 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 30.57 6.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.743 179.475 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -154.01 169.3 23.83 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 111.265 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 81' ' ' VAL . 14.1 m-20 -64.87 110.93 2.6 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.984 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.97 -39.11 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.52 -177.315 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -43.47 98.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 0.0 111.286 -178.307 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.57 -45.26 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 77' ' ' ASP . 95.2 t -57.65 -49.02 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.334 178.251 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -56.45 -44.06 80.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -60.67 -52.61 64.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.245 -177.474 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -56.89 -42.0 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.8 t -61.0 -50.09 82.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.35 177.525 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.04 -32.73 64.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.119 -176.533 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -77.94 -4.69 48.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 111.033 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 32.9 m -112.88 -7.12 13.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.408 175.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 85' ' ' VAL . 91.4 t -89.3 102.77 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.008 175.718 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -124.51 179.4 4.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.513 179.035 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -77.77 153.37 32.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.0 111.891 -175.662 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.437 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 50.6 t30 -78.86 75.84 5.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.194 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -83.16 -21.12 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.691 -175.569 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.581 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 7.4 p-10 -86.8 -13.46 45.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.33 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 65.08 25.39 12.53 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.253 174.586 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -133.04 112.36 11.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.297 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.88 -29.96 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.297 -175.454 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.7 m -66.64 -38.95 87.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 110.847 178.713 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.581 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 7.0 t-160 -84.32 -28.4 27.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -176.093 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.437 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -63.79 -52.82 58.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.097 177.633 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.87 88.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 177.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -67.77 -33.86 75.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.959 -179.273 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -73.56 -39.82 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.256 -178.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.43 95.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.458 177.055 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -65.84 -46.5 78.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.376 -0.412 . . . . 0.0 111.034 -179.576 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -69.03 -34.86 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 -175.275 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.613 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -73.15 -50.8 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -174.241 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -19.55 64.7 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.08 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -68.43 -29.84 68.6 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.514 -179.346 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.45 -29.92 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -176.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -135.72 68.82 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 0.0 111.368 -172.335 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.1 tp -85.2 -32.2 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -62.36 -35.57 79.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 -178.674 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.02 -36.07 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 177.612 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -40.13 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.291 0.567 . . . . 0.0 110.121 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -64.23 -47.24 80.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.765 177.773 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.47 -28.77 68.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.525 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.446 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 16.8 t -59.82 -44.62 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.36 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.9 pt -95.24 -1.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.945 0.403 . . . . 0.0 111.218 -178.86 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 84.1 tttt . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.59 -178.681 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.6 p -79.97 179.38 7.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.423 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 5.8 m -54.6 -41.54 70.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.93 178.294 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.92 -44.86 91.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.927 -179.024 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 109.875 178.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.63 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 64.1 tp -58.44 -38.6 77.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 8' ' ' THR . 81.4 mm-40 -61.71 -26.86 68.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -176.587 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -77.85 -41.67 36.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.912 179.65 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -67.91 -28.54 67.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.283 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 27.7 mtp180 -59.25 -53.72 55.09 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.525 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -57.14 -49.09 77.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.538 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -71.77 -33.26 68.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.148 178.695 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.33 -52.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 110.365 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 t -64.53 -36.83 85.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.562 -178.873 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.9 m -73.31 -45.42 55.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.388 -177.197 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.94 6.94 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -176.849 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 57.34 34.53 24.84 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.72 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.1 mm -64.14 122.05 75.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.77 143.43 99.39 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.944 2.429 . . . . 0.0 111.978 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -30.0 57.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.794 -178.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.81 -54.34 24.48 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.563 0.539 . . . . 0.0 111.396 177.221 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 56.8 m-85 -61.82 -36.56 81.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.43 179.175 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.46 -43.81 87.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.481 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.1 mt-10 -59.9 -36.39 76.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.3 178.45 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.96 -46.47 71.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.046 -179.664 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.7 m-85 -58.68 -34.07 70.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.15 -24.27 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 0.0 110.623 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -105.52 17.12 24.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.368 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.7 m95 53.87 41.52 32.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.285 -177.212 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -110.86 113.15 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.132 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.64 93.73 34.12 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.291 -177.468 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.74 145.07 91.73 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.588 2.192 . . . . 0.0 112.602 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -79.04 78.49 5.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.189 0.995 . . . . 0.0 109.606 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' A' ' 44' ' ' MET . 14.5 t70 -143.98 145.52 32.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.077 -175.211 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.2 -28.8 65.14 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.562 0.539 . . . . 0.0 111.348 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -59.43 -57.34 13.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.052 0.454 . . . . 0.0 110.64 176.583 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.8 m -59.04 -34.17 71.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.155 178.035 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.4 mtt -67.18 -47.04 72.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.57 -174.092 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.05 -49.43 77.93 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.264 176.313 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.02 -39.83 83.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.832 178.181 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -61.0 -50.11 74.72 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.331 -179.237 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.9 t -59.31 -47.93 83.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.7 t -61.4 -47.19 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.502 . . . . 0.0 111.015 -177.853 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -63.37 -27.92 69.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.689 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -79.29 -39.88 31.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.994 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -68.76 -27.02 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.617 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.54 8.89 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.601 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 54.75 48.57 19.89 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 7.1 mt -124.87 -17.38 5.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.195 -176.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 70.4 t80 -139.18 144.13 38.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.507 178.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -123.26 137.79 54.78 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.61 -12.83 61.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.461 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.0 m -103.5 -63.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 111.568 177.035 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.43 -8.98 58.58 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -174.551 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.93 -144.27 27.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.342 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.64 123.72 10.42 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.392 2.062 . . . . 0.0 111.764 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.2 mt -83.16 90.83 7.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.767 -178.033 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.4 t -49.32 -43.98 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.823 -1.081 . . . . 0.0 112.78 -174.369 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.53 -49.93 73.38 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -176.36 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.02 -35.48 80.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.987 0.423 . . . . 0.0 110.326 177.305 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 18.3 mt -58.9 -48.98 79.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.281 179.638 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.18 -38.78 78.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 177.64 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -57.49 -34.67 69.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.765 178.355 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.623 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 7.9 tp60 -89.73 -56.32 3.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.525 -177.101 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 94.8 mt -62.96 -43.21 99.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.378 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.11 34.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.722 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -73.4 86.58 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 30.44 7.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 178.542 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HD2' HD13 ' A' ' 115' ' ' LEU . 21.1 mtt180 -153.26 167.6 28.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 110.677 178.531 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.51 108.48 0.97 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.713 178.218 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.41 66.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.195 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.76 -52.55 64.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.118 178.283 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.66 -43.21 85.16 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.243 -178.566 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.6 t -57.33 -48.86 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -55.82 -46.09 78.18 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 110.714 177.195 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -62.0 -49.62 75.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.21 -178.717 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.05 -43.59 91.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.667 178.768 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 89' ' ' VAL . 29.4 t -56.96 -48.88 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 175.87 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.33 -27.35 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.906 -177.531 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.96 -14.05 62.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 110.618 177.352 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 m -109.95 -11.1 14.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.734 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 85' ' ' VAL . 59.5 t -82.86 133.08 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.111 176.691 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -158.55 162.83 37.42 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.39 154.68 41.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.079 0.466 . . . . 0.0 111.277 -176.142 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -73.53 74.68 1.46 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.584 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.3 p -80.83 -23.21 39.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.27 -19.49 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.554 -177.727 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 65.54 22.6 11.79 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.506 178.489 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -139.06 114.28 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.321 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.65 70.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.929 -174.218 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -63.05 -42.16 99.66 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.611 178.151 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -81.72 -24.72 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -62.78 -54.57 37.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.173 177.604 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.88 93.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.725 178.629 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.478 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.1 t80 -65.39 -33.59 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.817 -178.053 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -67.81 -37.52 82.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.668 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.08 -44.56 91.09 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.553 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -66.66 -48.83 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.24 . . . . 0.0 110.883 -179.379 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -60.5 -45.51 93.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -177.771 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.83 -44.53 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.091 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 23.4 t80 -75.62 -46.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.988 -174.075 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 1.9 pp0? -69.77 -13.02 62.07 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.834 0.349 . . . . 0.0 111.562 -177.511 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.011 0.434 . . . . 0.0 110.32 178.061 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -113.87 -26.82 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.436 -173.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -132.94 61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.983 0.42 . . . . 0.0 110.935 -174.26 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 109' ' ' GLN . 56.1 tp -83.02 -31.12 27.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.994 0.426 . . . . 0.0 111.108 -178.704 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -64.69 -35.1 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.088 -178.848 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' A' ' 76' ' ' ARG . 42.3 tp -66.9 -32.82 74.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 178.33 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.87 -41.13 84.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.186 178.096 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -66.76 -40.54 88.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.809 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -24.57 59.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.311 178.414 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.623 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 27.5 t -63.5 -45.1 92.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.399 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.99 -1.65 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.201 0.524 . . . . 0.0 111.303 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.949 -176.578 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptm . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.547 0.689 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -89.96 112.0 23.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.142 -172.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -100.92 119.15 38.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.209 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.03 112.75 25.74 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.348 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.401 HG13 ' H ' ' A' ' 5' ' ' VAL . 0.8 OUTLIER -70.29 139.64 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.256 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 p -88.16 107.58 18.84 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.8 p -82.16 -179.95 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.648 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -60.67 -35.76 77.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.991 0.424 . . . . 0.0 111.077 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -67.05 -37.28 83.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.245 0.545 . . . . 0.0 109.639 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 61.4 tp -63.92 -36.19 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.183 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -67.96 -21.44 65.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.073 0.463 . . . . 0.0 110.485 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 93.4 mtt180 -80.56 -55.29 4.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.28 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.02 -45.57 79.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.783 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.78 -36.19 83.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.077 -175.47 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.1 m -63.72 -48.99 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.9 mm-40 -63.67 -37.85 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.7 m -65.57 -35.73 81.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -52.98 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.664 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -67.18 -21.62 65.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.057 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.3 m -89.76 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.231 -0.293 . . . . 0.0 111.255 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.0 12.15 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.5 t30 55.4 35.26 24.66 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -66.72 121.75 78.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.61 138.61 81.09 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.817 2.345 . . . . 0.0 111.776 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.02 -32.78 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.261 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.13 -46.04 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.214 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -63.17 -38.49 91.39 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' HA ' ' CD2' ' A' ' 32' ' ' PHE . 48.8 t -60.83 -39.1 80.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.107 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 19.7 mm-40 -59.55 -40.47 87.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.358 175.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.84 -49.67 75.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.115 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 13.9 m-85 -57.45 -33.19 67.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.515 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.448 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -98.06 22.25 9.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.0 m95 50.69 47.29 24.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.311 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -119.81 109.32 15.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.852 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 36.8 m-85 -113.96 105.21 54.63 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.087 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 37' ' ' PHE . 56.0 Cg_endo -69.62 149.68 68.1 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.42 83.08 5.48 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.361 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.715 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -149.34 150.14 31.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.673 -175.431 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.906 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.4 m -64.46 -57.14 10.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 m -56.43 -33.87 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.284 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.1 mtt -66.17 -49.83 66.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.46 -29.89 70.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.415 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.8 -50.03 75.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.296 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.72 -38.93 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.915 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.371 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 23.7 t -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.194 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.94 -48.22 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.065 0.46 . . . . 0.0 110.976 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -64.57 -23.73 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.984 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -80.56 -41.91 23.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.234 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 1.4 mptm? -73.55 -18.09 61.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.1 mtp -89.33 -0.55 57.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.519 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 55.88 48.94 16.98 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mt -121.9 -16.13 7.67 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.119 -175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -140.79 142.32 34.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.443 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.6 t70 -125.33 146.66 49.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.698 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.62 -12.42 60.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.474 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.443 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 18.5 m -101.1 -63.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.582 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -77.0 -15.45 59.63 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.82 -138.12 19.69 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.863 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HG2' HG13 ' A' ' 89' ' ' VAL . 37.9 Cg_endo -67.28 124.3 11.95 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.351 2.034 . . . . 0.0 112.064 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.4 mt -82.96 91.41 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 69' ' ' VAL . 79.4 t -48.9 -46.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.378 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.03 -56.36 22.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.491 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.24 -32.59 74.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.355 . . . . 0.0 110.441 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.1 -49.38 77.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.04 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 65' ' ' VAL . 0.9 OUTLIER -76.04 -29.93 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.257 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.65 -28.77 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.141 0.496 . . . . 0.0 110.76 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -89.46 -59.59 2.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.861 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 91.6 mt -61.15 -42.79 99.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -71.18 33.2 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -176.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 72' ' ' LEU . 80.8 t60 -71.64 87.6 0.94 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.64 16.76 25.67 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.534 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HD2' HD13 ' A' ' 115' ' ' LEU . 61.4 mtt180 -144.06 162.67 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 81' ' ' VAL . 31.5 t70 -65.13 117.27 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.332 0.587 . . . . 0.0 111.142 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.42 74.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.301 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -65.38 -44.96 85.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 28.9 tt0 -65.16 -44.05 89.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.285 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 77' ' ' ASP . 85.0 t -56.98 -46.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.374 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 82' ' ' ARG . 25.3 ttt180 -53.83 -43.61 69.56 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 175.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 80' ' ' GLU . 17.6 m -60.43 -54.13 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 25.3 mt-10 -58.6 -40.42 83.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.558 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.1 t -59.88 -48.87 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.716 0.293 . . . . 0.0 111.055 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.6 mt -59.15 -28.76 66.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.559 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.97 -6.63 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.722 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m -118.23 -6.7 10.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.094 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 85' ' ' VAL . 86.9 t -81.47 125.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.933 0.397 . . . . 0.0 110.042 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -138.82 -177.02 4.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.843 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -100.4 152.77 19.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.048 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -80.14 64.02 4.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.7 t -73.62 -19.65 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.588 0.709 . . . . 0.0 110.604 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.47 -18.63 48.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.303 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 66.08 19.43 11.16 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.071 -0.968 . . . . 0.0 113.473 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.55 127.13 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 171.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.73 76.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.021 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 86.1 m -62.76 -39.44 94.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.053 0.454 . . . . 0.0 110.199 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -78.6 -27.24 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -64.65 -55.12 22.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 110.034 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.1 79.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.571 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.451 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.7 t80 -68.43 -33.0 73.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.943 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.57 -45.52 94.49 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.336 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.66 -47.93 76.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -63.17 -41.15 99.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.3 t -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.106 0.479 . . . . 0.0 111.132 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.8 -48.24 32.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.66 -27.98 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.731 0.3 . . . . 0.0 111.46 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.19 -14.57 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.889 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.1 -32.54 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.677 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -139.37 69.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.287 -174.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -85.31 -29.72 24.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.871 0.367 . . . . 0.0 110.755 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.8 t -63.73 -36.71 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.131 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.434 HD13 ' HD2' ' A' ' 76' ' ' ARG . 38.2 tp -65.75 -35.34 80.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.392 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.56 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.15 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.19 -36.9 80.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.846 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.33 65.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.1 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 96.7 p -62.64 -38.18 89.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.337 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.0 pt -90.41 -3.73 10.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.992 0.425 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -90.08 131.31 36.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -73.93 110.85 8.55 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.53 -0.747 . . . . 0.0 110.635 -173.602 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.621 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.909 0.385 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.29 124.0 48.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -81.1 115.76 20.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.627 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.95 111.26 23.63 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.561 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -80.69 148.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 17.9 m -73.77 97.37 2.71 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.605 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 p -86.22 -177.62 6.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -43.96 72.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.141 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.53 -47.02 83.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.269 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 13' ' ' ARG . 10.3 m-20 -67.65 -39.76 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 0.0 110.497 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.1 tp -62.36 -34.19 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.014 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.91 -35.05 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.586 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 55.7 ttt180 -59.82 -53.75 54.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.939 176.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -64.93 -29.69 70.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.789 -172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 34.9 mtt180 -60.4 -42.12 95.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.625 176.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -64.61 -46.68 81.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.384 -176.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.64 -37.76 88.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.653 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -77.46 -30.92 53.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.29 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.14 -51.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.117 0.484 . . . . 0.0 110.406 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 p -66.28 -37.33 85.2 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.581 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -71.68 -48.27 48.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.09 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.28 10.75 16.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.657 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 55.35 33.1 20.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.821 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.03 124.95 85.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.808 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -63.68 143.99 88.28 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.859 2.372 . . . . 0.0 111.755 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.848 -176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD2' ' HE2' ' A' ' 31' ' ' LYS . 29.0 t70 -54.04 -50.28 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 176.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 36.9 m-85 -60.83 -36.1 78.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.537 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.52 -44.63 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.235 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.6 mt-10 -61.98 -32.18 72.6 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.18 0.514 . . . . 0.0 110.462 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 66.4 mttm -66.96 -54.52 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.554 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.576 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 13.6 m-85 -57.14 -34.09 68.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.273 -176.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -59.88 -37.63 79.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -97.44 26.75 4.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.51 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.6 m95 55.66 40.27 30.93 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 31' ' ' LYS . 46.3 mt-10 -106.06 111.53 24.2 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -122.27 83.01 45.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.457 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -59.5 149.0 84.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.844 2.362 . . . . 0.0 112.401 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -76.05 79.11 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.796 0.808 . . . . 0.0 109.747 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.611 ' O ' ' HG3' ' A' ' 44' ' ' MET . 15.3 t70 -141.34 144.06 34.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.026 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.81 -25.89 66.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.62 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 m -64.63 -56.05 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 110.446 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.8 m -56.34 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.206 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.611 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -65.32 -53.24 46.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.7 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.09 -30.85 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.675 0.274 . . . . 0.0 110.282 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -59.67 -49.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.28 -38.78 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -62.16 -53.56 53.66 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.712 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.3 -49.94 68.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.523 HG11 ' H32' ' A' ' 201' ' ' ACD . 45.3 t -61.61 -45.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -178.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.4 m-30 -63.92 -25.9 68.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -84.01 -36.36 23.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.069 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 6' ' ' SER . 8.4 mmm -88.23 0.59 55.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.919 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 53.45 53.86 11.0 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.321 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 68' ' ' LEU . 9.0 mt -127.11 -17.42 4.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.234 -175.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 81.4 t80 -140.59 134.99 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 23.5 t70 -120.53 144.62 47.95 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.0 -16.76 61.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.026 0.441 . . . . 0.0 111.371 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.437 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 25.3 m -97.9 -64.03 1.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.181 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -70.78 -24.24 62.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.626 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.37 -150.03 21.65 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.774 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.67 119.72 7.16 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.724 2.283 . . . . 0.0 111.53 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.58 87.17 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 76.6 t -48.77 -45.5 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.493 -174.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.61 -50.44 72.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.615 0.245 . . . . 0.0 111.32 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -65.49 -34.49 78.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.271 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 56' ' ' LEU . 17.9 mt -61.09 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.307 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 65.7 t -69.0 -36.54 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -66.33 -34.07 77.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.469 . . . . 0.0 111.109 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.42 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 25.2 tp60 -82.24 -59.56 2.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.932 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 119' ' ' SER . 99.2 mt -63.67 -53.98 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -85.45 32.74 0.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -68.62 108.05 3.2 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.336 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.59 36.0 75.55 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -148.26 170.34 18.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.44 92.3 0.06 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.954 0.406 . . . . 0.0 111.368 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.14 74.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.428 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.12 -47.88 80.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.322 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.83 -45.44 82.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 73' ' ' ALA . 56.7 t -58.41 -51.95 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.553 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -54.97 -43.14 73.22 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.015 0.436 . . . . 0.0 110.685 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -60.24 -51.76 68.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.251 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -60.89 -40.36 92.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.881 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 89' ' ' VAL . 31.7 t -56.8 -48.35 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.2 mt -58.73 -29.53 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.219 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.97 -22.91 66.5 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.778 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -105.31 -10.19 17.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.925 -175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 85' ' ' VAL . 63.9 t -80.41 131.19 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.026 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.413 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 14.3 t70 -155.25 169.28 24.54 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -75.93 158.3 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.17 0.51 . . . . 0.0 111.276 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -73.87 71.77 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.915 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 p -87.93 -1.97 58.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.544 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.16 -21.72 29.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 62.27 19.05 10.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 122.026 0.917 . . . . 0.0 110.462 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -150.61 117.41 5.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.77 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.936 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.35 -44.62 95.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.792 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.503 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 23.3 t-80 -82.84 -23.83 33.57 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.568 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -66.87 -54.55 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.038 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.95 86.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.5 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.09 -31.71 72.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.615 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 90' ' ' ASP . 6.4 ttm180 -69.25 -42.2 75.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.33 -45.32 95.33 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.72 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.499 ' CZ ' ' H5 ' ' A' ' 201' ' ' ACD . 21.4 t80 -67.44 -45.26 76.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -64.79 -40.8 95.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.12 -41.39 99.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.27 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -76.05 -46.66 28.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.509 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.8 -21.55 66.5 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.702 0.286 . . . . 0.0 111.263 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.42 -35.92 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.802 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -119.72 -17.03 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.914 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -139.39 70.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.37 -32.43 17.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.2 m -63.24 -33.58 75.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.747 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.418 HD21 HG22 ' A' ' 81' ' ' VAL . 50.8 tp -67.85 -34.74 77.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.331 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.21 -43.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.992 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -62.25 -39.88 94.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.263 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.276 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.481 ' HB2' HD23 ' A' ' 72' ' ' LEU . 27.3 t -56.6 -47.48 79.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.548 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 45.4 pt -94.81 2.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.417 . . . . 0.0 111.377 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -79.82 120.58 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -57.99 130.49 46.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.877 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.752 -177.475 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.576 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.869 0.366 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -134.11 102.2 5.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.457 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.48 126.33 27.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.481 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 129.81 45.16 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.358 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 m -89.21 143.9 10.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.849 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m -71.4 105.21 3.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.281 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -81.42 -176.5 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.45 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.4 m -55.83 -45.08 78.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.78 -42.32 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.95 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.72 -40.01 91.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 0.0 109.967 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD21 ' H31' ' A' ' 201' ' ' ACD . 62.1 tp -61.8 -32.45 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.31 -37.41 87.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.536 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 47.0 ttt180 -60.31 -62.23 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.329 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -58.63 -39.13 79.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.693 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.889 0.376 . . . . 0.0 110.099 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -64.58 -50.41 67.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.14 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.644 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 14.8 mt-10 -60.81 -38.2 84.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.243 -178.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 98.0 m -70.26 -35.28 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.857 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.98 -52.93 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.269 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 t -65.33 -38.17 89.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.18 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 t -69.27 -49.19 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 0.0 111.128 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.38 7.31 23.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 55.93 42.74 28.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.407 0.622 . . . . 0.0 110.637 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mm -71.44 118.92 70.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.05 145.21 98.94 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.405 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.98 -30.58 61.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.008 -177.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -53.49 -55.24 27.01 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.0 m-85 -58.78 -39.9 82.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.239 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -56.51 -43.06 77.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.72 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.6 mt-10 -62.68 -42.95 99.9 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.81 -47.16 87.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.5 m-85 -57.95 -35.28 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.59 -35.64 81.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.56 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -89.3 21.51 3.26 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.868 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.3 m95 53.99 45.26 27.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.017 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -121.51 111.01 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -115.79 97.98 50.08 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.88 145.75 71.49 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.824 2.35 . . . . 0.0 112.758 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.44 78.58 7.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.678 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' A' ' 44' ' ' MET . 2.1 p30 -155.51 167.99 28.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.147 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -49.98 -46.47 52.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -171.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -56.44 15.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.048 0.451 . . . . 0.0 111.587 -175.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.427 HG23 ' CE2' ' A' ' 32' ' ' PHE . 25.6 m -62.43 -34.45 76.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.627 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.8 mtt -65.52 -49.28 69.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 97.1 m -69.17 -29.21 67.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.84 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -60.39 -51.62 68.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.442 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.4 mm -60.24 -39.16 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.562 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HE2' ' HB1' ' A' ' 97' ' ' ALA . 35.4 tttm -56.56 -55.64 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.591 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.1 t -57.82 -46.62 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.677 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.56 -46.09 95.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.415 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.953 -177.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.32 -40.71 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 47.4 mttm -66.51 -28.29 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.515 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 49.6 mtm -90.71 8.47 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 52.83 47.22 25.14 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.787 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.29 -14.87 9.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.375 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 71.4 t80 -142.0 139.53 32.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.362 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -122.92 142.85 50.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.12 -18.2 65.11 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -106.43 -62.01 1.45 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.806 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.09 -13.03 60.44 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.04 -146.28 31.94 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.402 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.48 124.53 16.33 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 111.973 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.4 mt -86.45 91.77 8.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.63 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 69' ' ' VAL . 87.5 t -51.21 -45.61 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.692 -1.14 . . . . 0.0 113.15 -171.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.92 -55.46 32.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.202 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.12 -33.53 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.356 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.433 ' CD2' H161 ' A' ' 201' ' ' ACD . 18.8 mt -61.76 -47.24 86.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.314 178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 65' ' ' VAL . 81.5 t -69.13 -43.44 81.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.882 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -62.22 -26.69 68.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.003 0.43 . . . . 0.0 110.939 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 5.5 tp60 -90.25 -60.64 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.455 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 89.1 mt -61.1 -42.86 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.162 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 34.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 t-160 -64.07 89.01 0.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.0 27.21 38.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.222 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 115' ' ' LEU . 63.4 mtt180 -143.93 170.44 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.86 -0.2 . . . . 0.0 111.152 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 81' ' ' VAL . 13.4 m-20 -59.91 104.6 0.31 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.782 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.76 78.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.611 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 111.243 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.67 -44.85 89.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.963 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 77' ' ' ASP . 75.7 t -57.93 -48.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.139 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -56.76 -45.09 82.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -61.34 -50.81 71.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.005 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.61 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.537 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.6 t -58.24 -49.04 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 174.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.52 -29.25 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.907 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -69.67 -18.76 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.644 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 34.2 m -104.11 -3.86 23.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.631 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 85' ' ' VAL . 86.3 t -88.24 107.18 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.748 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -115.52 168.24 10.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.722 175.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 91' ' ' LYS . 37.6 mtpt -81.21 160.25 24.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.454 . . . . 0.0 110.548 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.46 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 54.3 t30 -80.06 70.46 6.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.578 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.5 p -83.61 -15.83 47.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.647 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.48 -19.18 46.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.818 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 63.29 24.3 14.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.404 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.59 120.83 15.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.422 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' A' ' 48' ' ' LYS . . . -70.64 -32.67 70.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -171.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.2 m -62.58 -43.61 98.37 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.701 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -75.41 -28.51 59.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.426 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 10.5 t90 -66.95 -55.06 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.371 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.36 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.703 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.476 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 81.4 t80 -65.82 -32.28 73.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.906 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.7 -39.54 70.13 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.439 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.403 ' O ' H191 ' A' ' 201' ' ' ACD . . . -61.4 -44.23 98.31 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.294 177.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.95 -47.59 68.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.937 0.398 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.137 -177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.15 -43.41 98.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -77.43 -48.54 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.405 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' HD13 ' A' ' 113' ' ' LEU . 1.4 pp0? -60.68 -26.8 67.36 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.883 0.373 . . . . 0.0 111.184 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.73 -28.18 69.41 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -109.44 -34.81 6.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -138.06 72.82 1.42 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -171.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 109' ' ' GLN . 59.0 tp -89.81 -30.16 18.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.12 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 m -63.82 -35.03 79.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.893 0.378 . . . . 0.0 110.535 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.407 ' CD1' ' HD2' ' A' ' 76' ' ' ARG . 31.1 tp -64.1 -36.68 84.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.941 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.482 HG23 ' C9 ' ' A' ' 201' ' ' ACD . 79.0 mt -65.9 -43.19 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.478 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.18 -44.45 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.807 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.72 73.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.355 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.472 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 97.3 p -59.56 -39.39 83.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.791 -176.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.3 pt -89.44 -2.14 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.422 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -83.38 127.5 33.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -142.45 106.53 4.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.192 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.239 -179.695 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.536 ' H31' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.603 0.24 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -166.27 109.06 0.75 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.124 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.89 120.17 9.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.129 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.36 119.9 37.85 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.413 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.27 149.46 5.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.286 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -78.45 101.12 7.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.913 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.4 p -78.21 176.03 9.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.536 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m -55.62 -38.52 69.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.476 . . . . 0.0 110.909 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.67 -40.44 84.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.906 -178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.29 -40.12 95.31 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD11 ' H32' ' A' ' 201' ' ' ACD . 56.0 tp -63.22 -35.07 79.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.185 -176.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.19 -33.02 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 5.0 tpm_? -73.15 -41.07 64.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -67.4 -34.68 77.77 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.003 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.607 HH12 ' C1 ' ' A' ' 201' ' ' ACD . 0.3 OUTLIER -60.38 -40.79 92.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.568 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.14 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.981 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.65 -49.32 75.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 -32.7 69.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.597 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.7 -51.24 64.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.746 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 t -66.58 -37.43 84.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.476 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -75.16 -46.66 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.739 0.305 . . . . 0.0 111.602 -175.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.8 mt -87.59 13.45 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 53.48 37.22 25.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.513 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.39 119.8 68.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.786 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.62 142.76 99.36 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.077 2.518 . . . . 0.0 112.136 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.44 -33.7 60.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.694 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.32 -51.67 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.544 0.527 . . . . 0.0 111.585 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -61.26 -36.59 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.441 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.66 -40.93 88.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.6 mt-10 -63.12 -35.16 79.34 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.1 0.476 . . . . 0.0 110.347 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -68.58 -48.59 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.157 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 17.3 m-85 -59.48 -31.33 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.03 -24.31 64.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.931 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -117.32 27.28 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 0.0 111.241 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.3 m95 54.68 45.83 25.96 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.117 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -116.57 109.64 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -114.18 97.19 44.84 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -59.42 142.94 99.76 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.326 2.017 . . . . 0.0 112.294 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -81.07 83.09 6.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.575 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.6 t70 -149.84 149.81 31.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.047 -175.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.87 -42.77 37.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.421 0.451 . . . . 0.0 111.448 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.2 m -51.84 -57.71 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.416 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -59.83 -34.73 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.33 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -69.36 -48.68 60.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.162 -174.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.4 m -66.55 -28.89 68.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.94 0.4 . . . . 0.0 110.162 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -61.32 -45.98 92.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.329 175.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.4 -44.26 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.052 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 4.4 ptmm? -66.6 -41.26 88.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.695 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.491 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 13.2 t -59.21 -50.65 73.2 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.9 -46.37 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.302 0.572 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -63.22 -23.86 67.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.09 -39.02 20.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 5.4 mptp? -66.76 -23.74 66.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.025 0.44 . . . . 0.0 110.489 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.06 -0.75 57.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.278 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 57.16 52.63 8.74 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.398 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.505 HD11 ' HG2' ' A' ' 71' ' ' GLN . 6.9 mt -125.84 -20.11 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.654 -174.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.2 t80 -136.91 138.98 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.009 0.433 . . . . 0.0 110.188 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.15 137.12 53.18 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.37 -18.06 64.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 m -99.68 -61.55 1.35 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.457 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -79.34 -7.99 58.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.977 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.72 -153.38 36.52 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.928 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.46 123.32 13.34 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.194 2.596 . . . . 0.0 111.855 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.28 93.04 8.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.1 t -52.14 -44.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.752 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -57.89 -54.22 49.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.486 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.61 -42.62 99.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 65' ' ' VAL . 67.1 t -69.4 -44.39 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.65 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -63.09 -23.64 67.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 0.0 111.284 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.505 ' HG2' HD11 ' A' ' 56' ' ' LEU . 28.0 tp60 -89.76 -60.39 1.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.742 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 74' ' ' HIS . 92.5 mt -67.67 -41.45 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.83 33.07 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 72' ' ' LEU . 38.9 t-80 -72.42 81.94 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.72 27.75 7.36 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.518 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' HD2' HD13 ' A' ' 115' ' ' LEU . 39.5 mtt180 -148.27 163.05 38.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.598 0.237 . . . . 0.0 110.803 177.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.6 111.87 2.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.943 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.43 74.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.124 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.05 -44.54 87.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 111.119 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 32.9 tt0 -67.08 -45.63 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.2 t -58.04 -48.74 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.634 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.86 -43.44 69.53 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.103 0.478 . . . . 0.0 110.519 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -62.84 -52.96 61.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.177 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 18.9 mt-10 -57.87 -40.71 80.88 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.567 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.1 t -59.87 -51.55 71.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.624 0.25 . . . . 0.0 111.063 176.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.9 mt -56.55 -31.9 64.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.851 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.07 -15.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.2 m -108.64 -6.2 16.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.8 t -80.15 100.32 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.438 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -103.62 171.81 7.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.541 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -93.45 158.59 15.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -77.99 71.34 4.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -84.84 -20.93 30.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.572 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -78.76 -15.87 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.62 27.86 17.57 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.971 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -146.27 117.83 8.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.029 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.28 71.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.042 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.533 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 68.5 m -66.04 -46.12 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.881 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -76.52 -26.98 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.368 . . . . 0.0 110.027 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -67.21 -57.08 7.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.7 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.35 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.629 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.456 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 70.1 t80 -68.5 -32.93 73.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.554 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -67.7 -43.22 80.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.178 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.419 ' O ' H191 ' A' ' 201' ' ' ACD . . . -62.32 -48.91 79.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.04 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -63.83 -46.27 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 59.4 tttt -65.03 -42.81 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -59.13 -42.76 91.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.403 0.621 . . . . 0.0 110.762 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.405 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 28.3 t80 -73.9 -53.58 9.84 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.84 -174.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.67 -27.54 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.4 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 106' ' ' LYS . 4.4 tmtm? -60.29 -37.29 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.271 0.557 . . . . 0.0 109.75 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -106.98 -25.09 11.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.907 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -140.67 69.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.564 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.8 tp -88.32 -27.97 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.135 0.493 . . . . 0.0 110.51 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 m -61.6 -39.25 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.696 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.433 HD13 ' HD2' ' A' ' 76' ' ' ARG . 55.3 tp -65.01 -35.08 80.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.8 -39.86 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.33 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.66 -42.44 91.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.16 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.33 66.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.376 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.6 t -58.18 -46.86 85.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.505 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -90.91 -0.54 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.515 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -77.53 119.48 21.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 133.25 37.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.492 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.648 -0.692 . . . . 0.0 110.256 177.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.607 ' C1 ' HH12 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.203 0.049 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 66.79 108.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.684 0.615 . . . . 0.0 111.081 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.3 106.23 1.99 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.461 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.57 121.41 41.14 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.825 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.96 138.57 18.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 174.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 p -81.12 104.52 11.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.369 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -82.45 -176.44 6.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -54.91 -48.41 73.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.407 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.0 -38.99 84.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.788 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -66.81 -43.6 83.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.239 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.702 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.6 tp -59.98 -36.63 77.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.383 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.4 -40.35 68.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.611 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.27 -41.71 89.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.307 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -71.57 -39.02 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.104 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.702 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.0 mtp180 -60.83 -49.92 75.51 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -59.83 -51.42 69.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.891 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.03 -45.09 71.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.779 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.43 -35.62 78.07 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.758 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.404 HG13 ' HB ' ' A' ' 24' ' ' ILE . 3.3 t -62.02 -54.24 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.008 0.433 . . . . 0.0 110.547 176.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.1 m -64.94 -28.93 69.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.062 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -82.53 -44.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.64 0.257 . . . . 0.0 111.267 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -83.67 8.04 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.04 36.14 25.79 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.906 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.404 ' HB ' HG13 ' A' ' 19' ' ' VAL . 36.6 mm -68.57 119.54 69.31 Favored Pre-proline 0 N--CA 1.453 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.197 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.83 142.22 98.73 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.991 2.46 . . . . 0.0 112.482 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.59 -33.0 59.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.744 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.0 -47.48 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.406 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -65.9 -34.17 77.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.594 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.4 t -60.24 -43.51 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 15.2 mt-10 -61.06 -32.08 71.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.004 0.431 . . . . 0.0 110.659 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -65.98 -53.33 40.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.288 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.34 -31.38 67.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.336 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -56.88 -36.64 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.93 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -105.03 29.23 6.51 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.152 0.501 . . . . 0.0 110.703 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 78.7 m95 50.71 50.28 19.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.105 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -114.93 111.22 20.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.956 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -114.27 99.23 50.58 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.554 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.18 143.3 83.52 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.313 2.009 . . . . 0.0 111.974 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.67 80.65 8.72 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -152.44 142.43 22.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.333 -171.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.19 -26.78 12.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.001 0.813 . . . . 0.0 112.542 -169.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -57.8 -55.53 33.69 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.17 0.509 . . . . 0.0 110.822 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m -62.16 -35.38 78.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.29 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -57.71 10.96 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.784 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.9 m -64.66 -32.89 74.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.771 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.02 -48.97 79.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.437 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.69 -38.35 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.939 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.89 -49.73 73.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.268 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 t -56.61 -49.29 75.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.125 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG11 ' H32' ' A' ' 201' ' ' ACD . 54.7 t -63.34 -47.59 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 111.139 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.52 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.7 m-30 -63.26 -27.68 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.802 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -78.4 -37.72 43.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.61 -27.93 68.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.3 mtp -92.28 6.91 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.774 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 50.75 47.36 24.63 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.22 -176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.463 HD22 HD23 ' A' ' 68' ' ' LEU . 8.0 mt -117.59 -20.51 8.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 63.9 t80 -139.38 138.54 36.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.771 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -116.31 138.36 51.38 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.14 -21.37 66.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.978 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.8 m -99.46 -63.17 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.99 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.72 -14.23 60.33 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 -152.45 25.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.599 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.52 123.86 13.56 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.993 2.462 . . . . 0.0 111.917 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -85.63 90.25 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 81.9 t -49.15 -46.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 114.779 -1.101 . . . . 0.0 112.765 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.16 -50.39 73.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.58 0.229 . . . . 0.0 111.384 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.24 -34.91 79.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.314 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.463 HD23 HD22 ' A' ' 56' ' ' LEU . 17.6 mt -59.95 -44.92 94.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.076 178.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' VAL . 92.0 t -67.83 -44.37 85.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 176.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -63.31 -25.67 68.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.922 0.391 . . . . 0.0 111.279 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -90.42 -60.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.714 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 81.5 mt -62.2 -43.68 98.28 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.387 -175.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.56 33.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.0 t-80 -70.15 87.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.995 0.426 . . . . 0.0 110.171 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.53 11.03 49.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.332 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.406 ' HD2' HD13 ' A' ' 115' ' ' LEU . 61.9 mtt180 -131.94 168.37 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.467 0.175 . . . . 0.0 110.717 -177.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.79 115.68 6.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.369 0.604 . . . . 0.0 110.991 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.45 77.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.43 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.79 -43.43 88.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.132 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.42 -49.31 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.188 0.518 . . . . 0.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.53 -49.63 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.475 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -53.01 -42.01 65.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 110.853 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -62.95 -55.14 28.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.482 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.31 -33.62 76.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.908 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 89' ' ' VAL . 26.0 t -60.63 -50.3 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.642 0.258 . . . . 0.0 110.818 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 mt -56.78 -32.37 65.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.871 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -70.34 -18.64 63.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.527 . . . . 0.0 110.718 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.7 m -103.79 -9.57 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.2 t -73.25 99.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.75 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -104.71 174.08 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.14 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -101.44 159.73 15.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.446 . . . . 0.0 110.587 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.9 t30 -78.11 65.0 3.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.428 0.633 . . . . 0.0 110.173 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.9 p -68.12 -36.21 79.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.57 -176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.18 -5.71 58.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.365 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 65.97 37.91 5.17 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.647 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.62 121.97 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 173.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.67 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.249 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.69 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.174 0.512 . . . . 0.0 110.082 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -75.47 -27.61 58.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.556 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.487 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.1 t90 -73.66 -52.71 12.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.772 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.03 90.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -66.89 -29.12 68.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.433 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -67.14 -44.26 80.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.63 -46.55 93.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.92 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.7 -49.37 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.75 -44.76 90.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.474 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.61 -44.15 97.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.431 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -75.37 -46.74 31.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.916 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -14.77 62.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.765 0.317 . . . . 0.0 111.535 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -68.02 -23.37 64.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -127.67 -30.96 2.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.467 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -129.5 60.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.171 -172.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.3 tp -81.0 -30.39 35.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.971 0.415 . . . . 0.0 110.736 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 p -63.31 -32.25 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.406 HD13 ' HD2' ' A' ' 76' ' ' ARG . 49.7 tp -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.46 . . . . 0.0 110.242 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.52 -35.9 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.427 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -72.45 -30.24 64.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.98 -33.29 30.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.538 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 41.7 p -63.92 -30.47 71.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 0.0 111.836 -176.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.7 pt -93.59 -3.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -91.0 117.61 29.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.134 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -117.64 13.7 14.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.491 0.662 . . . . 0.0 109.363 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.555 177.275 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.544 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mmm . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.834 0.35 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -98.72 124.08 43.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 110.498 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -114.31 125.39 53.83 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.787 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.52 118.0 35.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.292 174.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.81 134.65 29.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.424 0.631 . . . . 0.0 109.497 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -84.05 113.08 20.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.54 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.7 p -82.32 174.47 11.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.565 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.45 -41.23 76.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.655 0.264 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.82 -49.45 77.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.734 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -61.55 -39.67 91.94 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.943 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.558 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 63.4 tp -62.57 -40.5 97.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.811 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.14 -31.05 71.48 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.098 0.475 . . . . 0.0 110.45 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 77.5 ttt180 -68.48 -47.83 66.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.083 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.09 -34.54 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 14.3 mtt180 -57.3 -50.35 73.19 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -59.21 -44.83 92.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.791 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 5.8 mm-40 -64.89 -32.39 74.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.096 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.34 -29.62 30.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.849 0.357 . . . . 0.0 111.079 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 t -68.96 -50.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.07 0.462 . . . . 0.0 110.503 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -62.17 -37.08 83.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.768 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 p -81.42 -46.55 14.44 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 122.293 -0.255 . . . . 0.0 111.679 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.67 9.44 9.57 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.3 m120 54.58 39.16 30.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.368 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.38 123.57 88.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.461 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -60.47 141.88 96.58 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.932 2.421 . . . . 0.0 112.167 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.05 65.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.604 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.96 -50.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.925 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -59.09 -36.8 75.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.347 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -57.83 -41.71 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -64.51 -31.48 72.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.09 -54.7 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.23 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.645 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 15.2 m-85 -56.99 -38.57 73.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.322 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -63.0 -21.66 66.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' ' OE2' ' A' ' 36' ' ' GLU . 36.3 mtmm -110.37 20.8 17.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.089 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.6 m95 59.03 47.67 11.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.172 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.455 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 49.9 mt-10 -121.47 109.66 15.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.93 0.395 . . . . 0.0 110.145 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -115.58 100.0 53.09 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -64.17 145.65 89.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.556 2.171 . . . . 0.0 112.357 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.77 79.44 9.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.841 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.628 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.4 OUTLIER -150.82 157.88 43.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.25 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -52.8 -40.12 62.98 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -172.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -57.44 -56.52 20.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.1 0.476 . . . . 0.0 111.094 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 m -60.59 -35.44 76.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.25 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -61.8 -54.28 44.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.51 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.41 ' CA ' ' HB3' ' A' ' 98' ' ' CYS . 2.1 t -75.89 -21.38 57.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.725 -175.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -58.92 -47.48 84.89 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.05 -36.76 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.617 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 4.8 tmmm? -60.08 -54.31 47.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.189 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -56.93 -47.61 80.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.479 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.99 -49.43 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.48 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.8 m-30 -64.49 -25.86 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.979 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -78.15 -40.4 38.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.95 -22.09 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.996 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.45 2.54 55.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.475 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 58.25 45.75 16.77 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.23 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 6.9 mt -123.35 -17.96 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 111.326 -175.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.48 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.5 t80 -137.33 140.2 41.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.925 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 29.4 t70 -119.16 138.8 52.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.75 -10.83 60.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.651 -175.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.491 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 52.3 m -101.83 -65.09 1.0 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.527 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.14 -12.48 60.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.63 -151.29 24.01 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.021 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.07 123.17 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.788 2.325 . . . . 0.0 111.529 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.6 mt -83.78 89.6 7.2 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -51.4 -37.52 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.46 -174.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.16 -55.08 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.312 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -64.39 -34.36 77.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.369 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -59.9 -43.97 94.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.729 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 65' ' ' VAL . 90.6 t -69.33 -41.93 81.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.863 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -62.58 -25.04 67.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.222 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -90.28 -60.41 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.397 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.624 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 95.2 mt -64.39 -45.5 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.542 -174.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.91 26.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -174.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.43 92.27 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.86 19.67 16.67 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.366 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -146.68 167.12 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.468 0.175 . . . . 0.0 110.543 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.98 105.93 0.95 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.797 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.04 -32.43 64.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.995 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.69 -49.47 76.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.928 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.09 -42.96 72.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.645 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.37 -47.9 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.544 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -55.8 -43.3 76.72 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.651 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.8 m -61.2 -53.29 58.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.224 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.97 -40.16 92.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.822 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 89' ' ' VAL . 29.0 t -59.26 -48.98 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.626 0.25 . . . . 0.0 110.78 175.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.59 -30.39 68.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -65.7 -18.48 65.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.156 0.503 . . . . 0.0 110.737 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 35.7 m -105.32 -7.25 18.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.684 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 85' ' ' VAL . 39.9 t -95.74 110.37 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.275 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -146.49 -175.11 4.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.624 174.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -65.09 150.16 48.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -167.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -82.7 81.96 8.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.561 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.1 p -84.37 -9.86 58.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.209 0.528 . . . . 0.0 110.529 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.61 -20.73 46.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.259 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.75 20.07 11.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.037 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -147.45 127.31 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.15 -28.29 66.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -173.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 38.8 m -63.36 -39.96 95.96 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -71.98 -44.89 62.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.11 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -62.63 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.23 -173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.01 88.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.731 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 86.7 t80 -65.61 -31.38 72.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -66.76 -44.08 82.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.62 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' O ' H191 ' A' ' 201' ' ' ACD . . . -67.05 -44.51 87.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.702 178.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.45 -46.34 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.801 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -60.1 -41.62 92.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.314 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -63.1 -45.92 89.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.353 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -74.22 -46.59 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.344 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -66.12 -12.28 54.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.97 -37.9 89.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.79 -17.23 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.327 -176.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -127.27 58.8 1.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.664 0.268 . . . . 0.0 111.379 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 tp -86.05 -35.48 20.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.321 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.1 m -61.25 -33.52 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.87 -42.46 94.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.165 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.439 HG23 ' C9 ' ' A' ' 201' ' ' ACD . 84.1 mt -59.99 -43.34 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.526 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.4 mttt -64.12 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.978 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.76 -23.43 49.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.037 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 39.9 m -67.2 -36.88 82.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.726 0.298 . . . . 0.0 111.506 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 36.6 pt -91.66 2.78 7.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 111.142 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -88.96 133.5 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.324 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -98.36 114.53 26.89 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.562 -178.298 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.645 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 121.051 0.453 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -91.1 126.35 36.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.461 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -70.25 112.17 6.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.937 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.34 114.5 22.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.153 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.29 157.59 2.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.092 177.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -82.46 94.4 7.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.1 p -83.33 -173.37 4.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.635 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.0 m -58.64 -41.23 85.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.433 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.83 -44.56 96.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.72 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.28 -39.38 86.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 59.1 tp -62.14 -34.24 76.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.962 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -63.85 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.655 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 67.4 ttt180 -70.98 -63.22 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.337 177.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.58 -39.63 70.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.408 -173.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.32 -36.33 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.819 -176.098 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.4 m -71.37 -46.46 60.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.984 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 12.0 mt-10 -60.73 -35.85 77.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.427 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.9 m -71.54 -34.28 69.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.595 0.236 . . . . 0.0 110.691 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.52 -51.22 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.541 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -61.77 -39.82 92.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.596 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 m -75.57 -43.78 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -84.99 12.47 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 54.64 37.92 29.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.108 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.28 119.07 69.8 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.263 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -62.94 144.01 92.38 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.806 2.337 . . . . 0.0 111.847 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -53.44 -32.14 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.34 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.52 -53.96 39.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.383 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -61.84 -36.33 80.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.63 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.23 -39.91 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.357 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 5.0 mm-40 -58.65 -38.2 77.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.973 0.416 . . . . 0.0 110.37 176.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -67.71 -46.61 71.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 13.5 m-85 -63.36 -19.61 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.614 -176.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -79.51 -10.62 59.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.196 0.522 . . . . 0.0 110.249 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -116.03 22.9 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 55.33 36.04 26.22 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.97 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -107.36 110.18 22.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.526 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.99 91.3 39.36 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.672 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.24 147.65 93.71 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.442 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.15 87.11 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.73 0.776 . . . . 0.0 110.925 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.608 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.2 t70 -146.44 145.1 30.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.812 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.24 -26.31 60.54 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.675 0.609 . . . . 0.0 111.374 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.457 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.9 m -57.63 -37.57 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.571 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -65.36 -48.99 71.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -173.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -20.65 52.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.543 -177.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -59.88 -48.23 82.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 170.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.43 -38.63 78.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.514 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.5 -52.11 67.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.771 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.6 t -59.14 -48.2 82.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.505 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.75 -47.92 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.22 0.533 . . . . 0.0 110.855 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -65.22 -25.68 67.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.785 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -76.55 -43.28 39.68 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.411 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -75.02 -23.91 58.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.8 mtp -86.86 3.95 43.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 55.95 44.06 26.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.926 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD22 HD23 ' A' ' 68' ' ' LEU . 7.3 mt -117.6 -18.85 9.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.868 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -137.42 134.58 36.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.548 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.68 137.08 51.5 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.12 -24.08 67.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.928 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.2 m -95.71 -64.07 1.09 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.851 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.91 -13.87 60.26 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.96 -148.59 22.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.165 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.43 123.96 11.47 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.454 2.103 . . . . 0.0 111.96 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -83.55 96.47 8.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.4 t -50.22 -46.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.759 -174.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.69 -51.78 67.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.663 0.268 . . . . 0.0 111.331 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.01 -37.48 77.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.233 0.54 . . . . 0.0 109.987 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD22 ' A' ' 56' ' ' LEU . 21.1 mt -63.02 -43.48 98.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.185 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 65' ' ' VAL . 98.6 t -69.38 -42.99 81.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 111.427 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -90.85 -57.4 2.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.123 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 74' ' ' HIS . 83.9 mt -63.75 -44.55 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.71 34.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 72' ' ' LEU . 18.7 t60 -65.86 90.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.305 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.43 28.91 31.61 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.33 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -147.22 166.54 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.605 0.24 . . . . 0.0 111.114 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -59.04 105.1 0.29 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.309 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.785 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.5 -47.51 81.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.081 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.13 -48.75 64.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.1 t -54.45 -45.98 70.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.482 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -54.29 -46.67 72.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 111.326 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 m -66.34 -53.1 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.153 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.0 -33.09 71.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.858 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.74 -51.01 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.63 0.252 . . . . 0.0 110.886 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.3 mt -56.56 -31.99 64.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.802 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -73.11 -7.82 53.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 110.952 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.37 -12.56 14.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.11 106.44 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.006 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -122.16 175.65 6.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -85.41 156.7 20.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.545 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -78.59 84.1 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.749 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.2 p -83.24 -25.24 31.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.454 ' OD1' ' HB3' ' A' ' 96' ' ' ASN . 4.6 p-10 -85.95 -10.05 55.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.448 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 67.09 24.16 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.669 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.454 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 18.4 t-20 -130.06 120.76 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.698 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 45.5 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.094 0.474 . . . . 0.0 109.734 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -76.66 -32.79 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.818 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -61.09 -52.32 65.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.91 90.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.497 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 84.9 t80 -67.66 -31.25 71.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -66.06 -44.42 84.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.374 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.24 95.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.807 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 110.861 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -65.54 -40.59 93.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.162 -176.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -62.35 -41.91 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 111.157 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.3 t80 -75.9 -50.93 13.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.089 -173.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.41 -23.99 66.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -61.45 -29.7 70.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.852 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -119.33 -26.8 5.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -134.48 65.41 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.638 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.4 tp -86.52 -29.94 22.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 0.0 110.759 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 m -61.88 -38.46 88.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.67 -34.21 77.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.399 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.78 -40.18 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.393 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.15 -46.14 82.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.034 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.29 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.023 0.439 . . . . 0.0 111.343 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.1 t -54.61 -46.08 73.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.628 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.0 pt -90.42 -1.3 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.545 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -90.23 118.67 29.92 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.49 ' O ' ' HD2' ' A' ' 122' ' ' LYS . 2.9 pptp? -99.42 132.45 44.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.05 0.452 . . . . 0.0 110.083 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.359 -0.829 . . . . 0.0 109.635 179.31 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.422 H161 HD22 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 55.25 77.86 0.2 Allowed 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.739 0.649 . . . . 0.0 111.692 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.7 t80 -66.44 109.29 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.493 . . . . 0.0 109.907 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.44 118.41 36.5 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.61 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.87 137.78 23.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.466 0.651 . . . . 0.0 109.846 -176.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -90.44 106.29 18.4 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.923 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.3 p -79.46 178.87 7.8 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.296 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -52.88 -48.7 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 111.536 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.7 -40.79 98.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -65.2 -38.88 91.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.277 0.56 . . . . 0.0 109.936 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD21 ' H31' ' A' ' 201' ' ' ACD . 64.8 tp -63.95 -33.28 75.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.979 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.97 -30.48 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -63.74 -57.06 11.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.888 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -64.8 -39.0 92.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.405 HH22 ' CA ' ' A' ' 33' ' ' LYS . 1.4 ttt180 -64.8 -38.79 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.4 -175.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -67.47 -41.8 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.931 0.396 . . . . 0.0 110.647 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.67 -49.22 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.247 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.2 m -64.79 -35.94 82.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.04 -49.81 83.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.135 0.493 . . . . 0.0 110.432 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -64.39 -37.6 88.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.938 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -77.0 -48.21 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.629 0.252 . . . . 0.0 111.414 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.28 10.43 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.6 m120 54.98 40.14 31.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.101 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -67.78 121.7 80.57 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.05 141.97 97.42 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.212 2.608 . . . . 0.0 111.936 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.43 -32.82 65.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.052 -0.977 . . . . 0.0 111.44 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -54.12 -52.27 61.59 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.487 0.492 . . . . 0.0 110.954 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -60.69 -38.38 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.34 -42.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.441 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 10.8 mt-10 -62.25 -38.62 89.98 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.728 0.299 . . . . 0.0 110.224 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.52 -48.55 79.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.447 ' CE2' HG23 ' A' ' 43' ' ' THR . 15.5 m-85 -61.91 -22.6 65.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.191 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' CA ' HH22 ' A' ' 15' ' ' ARG . 24.3 ttmm -74.76 -28.93 60.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.045 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -104.53 29.6 6.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.7 m95 51.7 52.99 13.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.374 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.08 114.08 15.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.037 0.446 . . . . 0.0 110.397 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -120.23 91.35 46.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.273 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -59.36 141.06 97.1 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.54 2.16 . . . . 0.0 112.307 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -73.97 92.57 2.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.223 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -155.1 149.27 25.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -50.17 -45.23 53.19 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.303 0.377 . . . . 0.0 111.74 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.5 m -51.88 -54.15 32.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.718 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.447 HG23 ' CE2' ' A' ' 32' ' ' PHE . 24.5 m -60.58 -33.57 72.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.075 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.9 mtt -69.42 -50.26 47.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.42 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.4 m -64.81 -29.73 70.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.633 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -60.85 -51.18 70.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.183 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.49 -37.77 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.69 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.39 -53.34 59.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.673 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.05 -46.04 86.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.382 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.12 -50.24 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -64.68 -26.26 68.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.98 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -77.82 -41.82 35.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.16 -22.8 54.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.354 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 83.6 mtp -82.34 -2.55 53.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 59.82 48.46 9.03 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.024 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 68' ' ' LEU . 7.2 mt -124.17 -18.88 5.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.911 -176.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.2 t80 -141.11 137.64 32.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.303 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.514 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 31.0 t70 -122.72 142.77 50.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.376 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -74.03 -11.94 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.763 0.316 . . . . 0.0 111.229 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.514 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 51.7 m -99.33 -63.99 1.08 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.26 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -79.38 -15.47 57.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.881 -175.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.91 -151.24 25.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.537 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -59.08 121.37 9.82 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.175 2.583 . . . . 0.0 111.704 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 mt -82.24 89.34 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.832 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.0 t -48.95 -46.3 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.753 -173.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.98 -51.86 67.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.591 0.234 . . . . 0.0 111.539 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.54 -34.64 78.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.285 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 56' ' ' LEU . 18.4 mt -62.17 -47.64 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.506 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.436 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 94.7 t -68.06 -42.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.69 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -59.94 -29.82 68.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -88.96 -60.41 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.258 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 74' ' ' HIS . 85.0 mt -63.53 -41.03 98.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.31 33.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.99 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.6 t-80 -71.97 83.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.723 178.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.37 33.81 6.08 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.217 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' HD2' HD13 ' A' ' 115' ' ' LEU . 32.1 mtt180 -152.47 171.37 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.275 0.23 . . . . 0.0 110.715 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.64 107.51 2.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.471 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.78 68.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.048 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.8 -41.7 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.054 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -65.55 -45.0 85.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 0.0 110.001 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.71 -47.58 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.318 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -50.95 -45.94 60.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.035 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.2 m -65.11 -52.31 56.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -58.37 -40.14 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.643 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.7 t -60.02 -50.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.576 0.227 . . . . 0.0 110.963 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.44 -32.44 66.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.623 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.23 -8.55 55.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.7 m -113.05 -7.2 13.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.591 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.3 t -79.91 130.57 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.682 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.29 168.98 17.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.113 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -92.4 163.41 13.87 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.371 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 63.1 t30 -79.96 61.98 4.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.409 0.623 . . . . 0.0 111.332 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.6 p -87.86 -5.14 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.647 0.737 . . . . 0.0 109.107 172.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -82.0 -22.74 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.619 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 65.85 19.91 11.35 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.181 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -147.67 121.87 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.845 0.355 . . . . 0.0 110.066 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.07 -32.73 74.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.251 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.8 m -62.32 -45.74 91.88 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.872 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -80.88 -26.23 37.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.306 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.7 t90 -63.31 -52.83 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.986 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -64.91 -40.74 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.905 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 82.3 t80 -65.6 -32.95 74.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.197 -177.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.6 -37.04 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.0 -44.68 95.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.375 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.54 -47.57 75.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.717 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -62.23 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.24 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.98 -45.49 94.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.435 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 34.2 t80 -72.8 -49.42 30.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.953 -174.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.61 -22.73 67.05 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.782 0.325 . . . . 0.0 111.43 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.028 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -18.61 3.71 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.262 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -135.32 63.23 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.191 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.1 tp -85.94 -32.76 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -64.49 -32.24 73.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.908 0.385 . . . . 0.0 110.183 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 76' ' ' ARG . 53.9 tp -67.76 -36.17 80.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.052 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.439 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.6 mttt -64.9 -46.29 82.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.785 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -17.66 60.94 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.828 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.2 t -69.24 -40.52 77.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.946 0.403 . . . . 0.0 110.675 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.4 pt -95.41 -7.57 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -90.54 118.1 29.74 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.239 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 71.33 137.6 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 O-C-N 124.183 0.927 . . . . 0.0 111.712 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.312 -0.852 . . . . 0.0 109.854 175.284 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.45 ' H31' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.715 0.293 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.78 118.86 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.639 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.34 106.59 2.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.83 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.74 116.24 31.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.65 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 m -75.14 151.42 6.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.763 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -61.84 114.58 3.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.17 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -96.7 170.04 9.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.389 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -55.73 -49.83 72.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.01 -40.71 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -30.24 38.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.212 0.53 . . . . 0.0 110.637 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.29 -31.4 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.049 174.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.23 -25.5 66.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 30.9 ttm180 -66.88 -52.96 37.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.759 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.75 -41.92 96.37 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -37.46 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.605 -178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -64.87 -51.4 62.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.397 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 10.7 mt-10 -59.81 -39.47 85.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.364 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.35 -34.08 70.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.31 -49.82 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.432 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t -70.95 -20.2 62.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.93 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.2 p -90.36 -47.39 7.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.388 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.09 10.04 5.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.282 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 55.62 34.27 22.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.369 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.04 118.34 45.06 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.497 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.5 142.83 96.42 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.939 2.426 . . . . 0.0 111.791 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -27.25 56.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.253 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.01 -55.54 19.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.023 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.2 m-85 -64.53 -37.95 89.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.251 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.67 -41.79 83.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -35.79 80.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.14 -46.17 82.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.718 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 12.5 m-85 -59.08 -29.31 67.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -63.56 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -100.02 23.52 9.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.7 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.6 m95 50.0 42.99 25.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.23 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -111.02 109.63 19.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.831 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -114.97 92.62 31.4 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.289 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.91 146.94 76.72 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.503 2.135 . . . . 0.0 112.34 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -80.03 75.58 6.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.671 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.603 ' O ' ' HG3' ' A' ' 44' ' ' MET . 19.9 t70 -144.28 147.41 33.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.966 -174.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.89 -47.36 11.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.822 0.701 . . . . 0.0 111.973 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.9 m -51.69 -57.39 9.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.641 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 m -59.47 -34.23 72.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.296 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.4 mtt -67.27 -50.42 60.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.419 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.3 m -64.91 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.671 0.272 . . . . 0.0 110.412 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -60.03 -51.7 68.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.182 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.14 -39.3 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.79 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 48' ' ' LYS . 12.9 tmtt? -61.95 -52.51 63.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.255 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.9 t -55.26 -47.08 75.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.09 -46.38 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 111.329 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.5 -26.77 68.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.765 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -79.11 -38.04 37.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -62.78 -37.48 86.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.739 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.432 ' HE1' H101 ' A' ' 201' ' ' ACD . 72.6 mtp -86.93 8.0 24.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.328 -176.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 52.11 46.75 26.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD22 HD23 ' A' ' 68' ' ' LEU . 7.5 mt -116.36 -16.13 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.812 -174.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -142.12 130.48 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.74 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -111.93 146.96 36.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.121 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.62 -18.96 65.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.993 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.4 m -102.58 -65.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.825 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -70.36 -21.25 62.9 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.1 -135.89 13.93 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.644 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.8 122.72 10.39 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.278 1.985 . . . . 0.0 111.939 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -82.42 90.96 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.874 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.9 t -50.8 -45.62 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.584 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.83 -52.26 65.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.653 0.263 . . . . 0.0 111.344 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -64.32 -33.01 74.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.39 . . . . 0.0 110.386 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 56' ' ' LEU . 18.0 mt -62.53 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.056 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 65' ' ' VAL . 87.2 t -66.1 -45.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.852 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -58.73 -30.82 67.76 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.094 0.474 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -85.63 -60.41 2.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.002 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.689 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 94.5 mt -66.77 -41.44 87.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.701 -173.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.56 32.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 72' ' ' LEU . 36.4 t-80 -74.02 85.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.71 23.07 10.34 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.594 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HD2' HD13 ' A' ' 115' ' ' LEU . 34.4 mtt180 -146.0 165.87 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 111.321 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.29 108.12 0.75 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.22 66.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.443 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.14 -46.72 85.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.29 -42.25 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 0.0 110.364 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.51 -48.02 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.4 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -53.2 -45.74 68.71 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 121.032 0.444 . . . . 0.0 110.379 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 9.9 m -60.13 -52.17 66.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -54.29 -44.22 71.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.36 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.6 t -59.28 -51.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.04 -25.08 66.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.779 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 83' ' ' THR . 30.0 mtpp -78.62 -6.72 56.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.314 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -117.56 -8.27 10.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.01 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 85' ' ' VAL . 95.8 t -75.24 112.81 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.76 174.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -131.96 179.46 6.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.189 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -87.41 155.97 19.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.868 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.433 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -83.93 64.53 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.652 177.604 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 t -63.46 -15.74 58.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.501 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -89.53 -9.85 48.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.196 0.522 . . . . 0.0 110.755 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.0 t30 55.29 44.8 26.84 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.724 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.44 121.64 6.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.703 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.64 73.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.0 m -62.49 -41.04 98.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -82.8 -24.89 33.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.204 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.433 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 8.9 t90 -73.14 -53.23 11.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.515 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.92 81.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 74.0 t80 -68.46 -31.09 70.14 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.591 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -65.03 -45.9 83.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.958 0.409 . . . . 0.0 110.043 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.42 -46.02 94.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.89 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -64.14 -47.52 79.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -60.55 -44.09 96.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.347 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.26 -43.67 98.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.455 . . . . 0.0 111.061 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 19.4 t80 -74.97 -47.99 26.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.766 -173.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.428 ' HB2' HD13 ' A' ' 113' ' ' LEU . 2.7 pp0? -69.05 -9.67 53.71 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.799 0.333 . . . . 0.0 111.376 -177.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.5 -35.01 79.21 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.004 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.24 -19.37 3.16 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.631 -176.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -123.69 51.91 1.47 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.283 . . . . 0.0 111.122 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.428 HD13 ' HB2' ' A' ' 109' ' ' GLN . 56.8 tp -83.0 -32.44 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -62.93 -33.38 75.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 76' ' ' ARG . 56.4 tp -65.29 -40.61 94.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 176.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.36 -40.6 88.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.91 -30.01 70.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.814 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.05 -30.91 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.22 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.689 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 15.9 m -60.47 -36.17 77.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.427 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 pt -97.28 1.63 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.1 137.76 32.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.793 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.65 108.18 6.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.186 0.517 . . . . 0.0 111.315 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.013 178.158 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.432 H101 ' HE1' ' A' ' 54' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 ttp . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.145 0.498 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.37 93.28 8.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.063 0.459 . . . . 0.0 109.859 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -77.76 118.96 20.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.033 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.28 136.79 45.39 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.915 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.25 138.37 19.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m -88.44 97.95 11.35 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.582 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.0 p -76.81 179.66 5.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.44 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 86.2 m -49.82 -48.19 50.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' OE2' ' HG2' ' A' ' 122' ' ' LYS . 2.1 mp0 -61.5 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.697 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.58 -43.25 97.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD21 ' H31' ' A' ' 201' ' ' ACD . 58.6 tp -63.19 -38.21 90.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.078 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 8' ' ' THR . 80.3 mm-40 -67.2 -27.66 67.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.91 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.691 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 77.1 ttt180 -67.65 -60.32 2.64 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.013 174.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.16 -37.99 72.89 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.017 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.452 HH11 ' C1 ' ' A' ' 201' ' ' ACD . 0.9 OUTLIER -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.887 -178.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -65.95 -47.42 74.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.761 0.315 . . . . 0.0 111.2 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 16.1 mt-10 -63.21 -34.85 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.709 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.524 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 85.3 m -69.76 -34.59 73.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.767 0.318 . . . . 0.0 110.394 174.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.29 -50.67 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 121.072 0.463 . . . . 0.0 110.427 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 t -65.56 -28.73 69.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.2 t -83.44 -50.02 8.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.686 0.279 . . . . 0.0 111.5 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -81.62 10.35 6.16 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 m120 55.82 34.66 23.91 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.0 mm -64.47 121.14 70.95 Favored Pre-proline 0 N--CA 1.452 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.44 142.48 97.93 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.036 2.491 . . . . 0.0 112.05 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.35 -30.24 66.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.38 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -62.87 -42.01 99.6 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.972 0.17 . . . . 0.0 110.653 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -61.68 -38.55 88.22 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.691 0.281 . . . . 0.0 111.137 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.21 -41.76 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 17.7 mt-10 -63.01 -35.65 80.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.407 176.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.98 -50.19 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.304 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.44 ' HB3' ' O1 ' ' A' ' 201' ' ' ACD . 15.7 m-85 -60.4 -23.32 64.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.226 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -69.65 -28.9 66.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.412 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -104.75 27.63 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.814 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 50.45 46.16 25.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.979 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.05 109.37 18.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.695 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -114.2 97.77 46.53 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.642 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.94 140.59 93.62 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.516 2.144 . . . . 0.0 112.502 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.86 80.4 8.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.591 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.562 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.196 -176.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.8 -44.39 49.12 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -52.52 -60.96 2.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 111.414 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 m -61.14 -33.26 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.567 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -66.4 -51.37 57.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.512 -176.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.95 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.365 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.4 t80 -60.17 -50.71 72.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.649 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.6 -38.92 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.02 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HD2' ' HB1' ' A' ' 97' ' ' ALA . 9.4 ttpt -63.1 -49.5 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.261 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 t -56.38 -48.29 77.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.361 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 46' ' ' TYR . 94.9 t -62.69 -47.13 94.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -67.89 -28.37 67.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.858 -177.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 3.4 t-20 -77.54 -38.48 48.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.291 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.524 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 25.4 mtpp -71.36 -28.91 64.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.948 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.423 ' HE3' HD12 ' A' ' 56' ' ' LEU . 50.9 mtm -83.8 4.19 30.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.777 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 57.59 31.34 20.2 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.331 0.586 . . . . 0.0 111.735 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD22 HD23 ' A' ' 68' ' ' LEU . 7.3 mt -103.75 -18.62 14.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.693 0.758 . . . . 0.0 109.997 -176.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 52' ' ' ASN . 67.8 t80 -144.13 127.29 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.751 176.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -98.25 140.68 32.19 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.43 -9.45 34.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.398 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -121.79 -57.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.828 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.83 -4.99 49.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.41 -157.31 42.29 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.535 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -63.38 122.3 10.41 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.383 2.722 . . . . 0.0 112.46 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -85.48 97.28 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.2 t -51.24 -45.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.829 -174.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.54 -52.21 66.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.51 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.67 -33.53 74.14 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.178 0.513 . . . . 0.0 110.166 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.425 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -62.96 -41.09 99.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.443 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.5 t -72.36 -41.3 65.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.86 0.362 . . . . 0.0 111.031 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -64.63 -26.85 68.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -90.6 -60.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 81.5 mt -61.32 -45.45 94.39 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.15 34.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 72' ' ' LEU . 55.6 t-80 -62.38 89.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.391 0.676 . . . . 0.0 110.462 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.76 30.4 35.87 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.358 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 76' ' ' ARG . 30.7 mtt180 -147.33 167.62 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.797 -0.237 . . . . 0.0 111.348 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.8 m-20 -57.97 101.47 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.969 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.32 91.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.096 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.45 -46.6 88.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.131 0.491 . . . . 0.0 110.869 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 38.1 mt-10 -69.27 -40.1 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 85' ' ' VAL . 61.6 t -56.58 -51.37 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -49.84 -46.24 51.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.6 m -58.55 -50.91 72.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.117 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 23.0 mt-10 -64.76 -30.28 71.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -75.65 -33.17 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.789 177.714 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.93 -29.9 70.4 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 61.8 pttt -77.92 -7.82 57.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.103 0.478 . . . . 0.0 110.368 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 m -105.16 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.226 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 85' ' ' VAL . 87.1 t -71.97 130.83 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 175.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -144.89 160.01 41.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -71.68 157.74 37.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.517 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -83.74 59.48 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.505 0.669 . . . . 0.0 110.697 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -83.72 -5.83 59.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.557 0.694 . . . . 0.0 109.564 173.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -80.71 -25.51 38.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.658 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.33 33.49 16.42 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.948 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -152.91 118.65 5.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 48' ' ' LYS . . . -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -171.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.03 -44.46 96.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.709 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.647 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.9 t-160 -78.78 -29.17 44.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.411 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -61.6 -54.08 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -66.34 -29.49 69.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.707 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.647 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 57.0 mtp180 -67.7 -45.29 75.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.408 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.75 -44.89 96.82 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.768 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -65.77 -46.29 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.692 0.282 . . . . 0.0 110.74 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -63.5 -41.95 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.158 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.69 -44.88 96.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.897 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -74.35 -47.67 32.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.237 -173.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -68.75 -11.89 60.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.615 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -77.5 -26.73 51.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.016 0.436 . . . . 0.0 110.382 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -117.17 -27.54 6.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -139.74 66.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.523 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.3 tp -81.47 -26.72 35.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.977 0.418 . . . . 0.0 110.61 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.0 m -66.35 -36.53 83.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.1 tp -66.96 -35.17 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.403 HG23 ' C9 ' ' A' ' 201' ' ' ACD . 82.7 mt -66.08 -45.19 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.247 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.32 -36.08 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.013 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.34 59.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.121 -177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 94.1 p -65.37 -29.72 70.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.507 -176.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.2 pt -98.46 6.63 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.975 0.417 . . . . 0.0 111.192 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -73.97 121.46 21.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.103 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.417 ' HG2' ' OE2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -89.34 146.35 24.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.417 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.185 -179.027 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.452 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.537 0.208 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -66.12 125.2 24.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.94 0.4 . . . . 0.0 111.188 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -88.36 123.56 33.06 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.974 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.94 132.79 56.37 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.908 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -91.66 148.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.131 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 p -67.54 95.14 0.45 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.693 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.4 p -81.59 -178.19 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.314 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -54.61 -37.69 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.264 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.52 -46.66 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.979 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.69 -39.88 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 109.697 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.707 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 65.7 tp -60.95 -45.07 96.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -61.1 -31.9 71.58 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 0.0 110.636 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -65.63 -44.27 86.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.379 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -69.77 -37.37 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.707 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 47.5 mtm180 -62.56 -33.87 75.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.694 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -67.19 -41.45 85.84 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.662 0.267 . . . . 0.0 110.879 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.74 -35.84 81.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.3 m -72.85 -34.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.788 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.71 -53.48 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -65.94 -19.71 65.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.513 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 t -90.26 -47.61 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.23 14.43 9.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 55.54 39.15 30.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.493 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.0 mm -73.45 119.93 78.44 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.736 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.86 145.87 94.78 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.829 2.353 . . . . 0.0 111.923 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.53 -32.0 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.513 -177.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -52.07 -49.89 62.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.504 0.502 . . . . 0.0 110.702 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.17 -42.02 89.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.249 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.43 -38.36 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.474 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.0 mt-10 -62.97 -38.26 90.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.123 0.487 . . . . 0.0 110.298 175.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.06 -45.97 83.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.158 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.468 ' HB3' ' O1 ' ' A' ' 201' ' ' ACD . 16.5 m-85 -59.22 -33.53 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.97 -16.47 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -115.5 24.23 11.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.544 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 48.44 48.34 19.33 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.868 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.89 109.78 15.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.403 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -115.32 98.7 51.17 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.734 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.83 141.33 95.78 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.624 2.216 . . . . 0.0 112.508 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -89.12 79.73 7.12 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.559 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.9 OUTLIER -155.51 160.78 40.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.627 178.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -51.14 -36.51 41.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -172.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -56.08 -59.88 4.29 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.667 0.27 . . . . 0.0 111.347 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.4 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -66.71 -47.55 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.57 -174.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.06 -30.58 69.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.777 0.322 . . . . 0.0 110.203 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 33.8 t80 -60.44 -50.58 73.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.32 -40.18 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -60.34 -51.97 67.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 110.156 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.16 -48.62 79.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.611 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.59 -43.21 98.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.53 -27.78 68.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.554 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.05 -35.01 43.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.276 0.56 . . . . 0.0 110.068 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.61 -37.42 83.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.7 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.425 ' SD ' HD13 ' A' ' 11' ' ' LEU . 98.0 mtp -85.49 1.84 47.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.255 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 60.91 54.06 3.58 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.494 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 mt -127.23 -19.4 4.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.568 -173.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -141.96 138.52 32.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 28.5 t70 -119.76 137.03 54.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.442 178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.4 -20.74 60.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.621 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.44 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 57.7 m -99.28 -65.76 0.94 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -76.26 -7.89 55.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.93 -152.81 35.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.918 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 121.33 9.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.074 2.516 . . . . 0.0 111.817 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -83.07 91.03 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.4 t -48.52 -44.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.621 -175.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.21 -54.69 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.664 0.269 . . . . 0.0 111.424 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.94 -33.05 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.06 -51.02 71.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.24 -38.9 80.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -61.0 -32.19 71.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -90.66 -57.65 2.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.988 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.727 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 91.9 mt -59.8 -42.54 93.67 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -174.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.25 34.6 0.09 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.133 0.492 . . . . 0.0 111.901 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 72' ' ' LEU . 68.8 t60 -66.35 85.77 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 29.09 23.83 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -149.25 166.46 28.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.681 0.241 . . . . 0.0 111.351 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.3 m-20 -55.49 110.37 0.69 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.405 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.17 83.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.846 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.7 -46.5 87.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.913 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.92 -45.83 89.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.192 176.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 77' ' ' ASP . 91.9 t -59.36 -48.29 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.562 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -56.24 -44.47 79.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -60.63 -53.46 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.056 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -55.5 -42.99 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.567 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.3 t -57.59 -51.43 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.816 0.341 . . . . 0.0 111.002 176.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.44 -30.34 70.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.44 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -74.23 -4.25 34.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.803 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 m -119.96 -9.13 9.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.261 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 85' ' ' VAL . 69.4 t -75.1 123.2 30.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.954 0.406 . . . . 0.0 110.839 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -114.41 178.54 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.939 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -100.68 155.36 17.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.31 173.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.463 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 59.6 t30 -78.6 71.05 5.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 110.703 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.5 p -90.22 -9.04 49.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.046 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' CG ' HH12 ' A' ' 103' ' ' ARG . 4.3 m-20 -81.06 -18.8 45.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.902 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 61.36 23.9 14.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.472 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -146.67 107.85 4.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.441 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.98 -41.13 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.815 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -77.4 -31.08 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.463 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.4 t90 -62.6 -53.48 53.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.366 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.43 84.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 82.9 t80 -66.39 -35.87 81.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.583 -175.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 103' ' ' ARG . 31.2 ttp180 -72.32 -33.67 67.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.19 91.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.462 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -64.9 -46.97 79.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -63.38 -42.61 98.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.054 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.8 t -60.95 -45.66 93.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 110.885 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.456 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 28.4 t80 -70.41 -50.0 43.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.002 -173.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.69 -26.75 68.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 111.347 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -66.86 -23.1 65.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.048 0.451 . . . . 0.0 110.734 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -112.84 -35.96 5.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -136.61 73.65 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.969 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 tp -87.09 -32.45 19.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.752 0.311 . . . . 0.0 111.174 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -34.66 78.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.53 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.39 -38.54 91.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.983 0.42 . . . . 0.0 110.053 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.54 -42.29 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.316 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -37.91 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.586 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.27 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.727 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 17.2 m -61.52 -32.42 72.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.884 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.38 7.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 111.268 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -87.04 133.27 33.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.937 0.398 . . . . 0.0 111.077 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -67.44 124.34 22.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.531 -178.313 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.548 ' H31' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.774 0.321 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -116.59 113.81 23.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.461 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -88.78 126.92 35.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.95 130.91 55.47 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.851 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.96 155.86 3.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 p -85.8 91.77 8.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.938 -175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.8 p -76.83 -173.1 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.87 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 3.3 m -56.62 -40.0 74.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.52 -50.7 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.795 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.81 -39.72 85.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD21 ' H31' ' A' ' 201' ' ' ACD . 64.7 tp -62.84 -40.83 98.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.386 -178.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 8' ' ' THR . 43.0 mt-30 -69.44 -27.01 64.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.2 ttm180 -65.84 -58.01 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.469 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -60.93 -35.6 77.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 111.305 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.476 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.2 OUTLIER -63.15 -39.49 94.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.702 -175.546 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 m -64.79 -43.71 92.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.349 . . . . 0.0 110.572 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 3.2 mm-40 -61.02 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.347 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.15 -32.82 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.3 -52.9 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.2 m -64.47 -31.09 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.0 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.5 m -79.87 -45.19 19.11 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.01 9.68 24.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 t30 55.37 35.72 25.59 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.131 0.491 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.64 121.74 72.31 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.469 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -60.51 139.67 87.43 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.789 2.326 . . . . 0.0 111.468 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.555 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.91 -34.27 65.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.483 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' OD1' ' HE2' ' A' ' 31' ' ' LYS . 18.6 t70 -53.83 -49.92 67.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.227 176.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -61.21 -38.97 88.51 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.537 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.75 -44.5 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.077 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -64.58 -32.77 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.989 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HE2' ' OD1' ' A' ' 27' ' ' ASP . 66.5 mttm -62.12 -52.81 62.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 174.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE1' HG23 ' A' ' 43' ' ' THR . 9.3 m-85 -59.97 -33.51 72.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.481 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -62.32 -26.54 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.751 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -107.54 32.75 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.3 m95 50.63 41.93 26.4 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -126.15 113.15 16.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.293 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -116.59 102.93 53.13 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.592 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.51 145.62 97.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.416 2.077 . . . . 0.0 112.385 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -81.45 81.38 7.59 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.271 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -148.74 146.16 27.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.985 -173.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -44.45 -47.96 9.94 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.749 0.656 . . . . 0.0 112.506 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 m -53.99 -52.93 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.564 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.492 HG23 ' CE1' ' A' ' 32' ' ' PHE . 25.1 m -60.89 -34.02 74.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.205 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 62.5 mtt -67.3 -51.81 48.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.344 -175.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -67.14 -28.52 68.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.099 -0.241 . . . . 0.0 110.82 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -61.42 -51.7 67.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.838 0.351 . . . . 0.0 110.058 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.49 -38.93 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.594 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -60.44 -53.09 61.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.379 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.639 ' SG ' ' HE2' ' A' ' 53' ' ' LYS . 16.2 t -57.01 -46.98 81.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.546 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.26 -48.02 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.744 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.67 -24.62 67.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.902 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -80.22 -40.14 27.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.639 ' HE2' ' SG ' ' A' ' 49' ' ' CYS . 65.1 mttm -74.71 -26.04 59.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 77.6 mtp -82.87 -0.2 47.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.805 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 57.08 50.82 11.31 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -122.92 -17.52 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.037 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -139.46 135.16 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.843 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -118.18 144.23 45.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.91 -20.87 65.14 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.5 m -99.11 -64.16 1.06 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.509 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.76 -16.44 60.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.84 -148.57 22.65 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.23 -0.985 . . . . 0.0 112.324 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.35 121.18 9.07 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.05 2.5 . . . . 0.0 111.693 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -81.38 95.82 7.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.9 t -51.17 -44.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.523 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.79 -49.54 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.325 . . . . 0.0 111.437 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -63.39 -34.57 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.167 0.508 . . . . 0.0 110.163 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.4 mt -65.24 -44.44 88.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.47 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 65' ' ' VAL . 99.1 t -68.22 -42.57 84.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.907 0.384 . . . . 0.0 110.295 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -60.93 -26.73 67.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.324 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -91.16 -60.71 1.83 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.023 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 96.8 mt -67.03 -41.22 86.93 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -171.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.94 34.0 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.441 ' H ' ' C ' ' A' ' 72' ' ' LEU . 26.9 t-80 -75.45 84.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.26 29.38 6.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.734 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.54 ' HD3' HD13 ' A' ' 115' ' ' LEU . 18.8 mtp180 -152.51 168.03 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.597 0.198 . . . . 0.0 110.661 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 81' ' ' VAL . 26.3 m-20 -64.16 106.27 1.04 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.089 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.14 -39.97 95.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.681 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.62 -43.16 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.109 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 77' ' ' ASP . 90.4 t -57.11 -43.7 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.07 -43.66 70.49 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -62.5 -54.75 35.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.283 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -42.7 78.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.4 t -59.15 -50.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.04 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.52 -31.83 64.5 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.747 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.91 -7.02 53.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.004 0.43 . . . . 0.0 110.939 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.0 m -113.23 -11.59 13.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.566 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.1 t -71.42 103.57 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 109.92 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.04 176.98 4.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.106 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.03 152.08 20.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.868 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -77.34 64.24 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -76.02 -19.98 58.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -83.41 -13.0 55.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 58.66 29.05 18.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.51 126.68 13.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.239 -178.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.84 -35.51 78.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.713 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.23 -41.24 98.23 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.185 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -71.42 -30.95 66.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.6 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -70.31 -52.09 25.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.721 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.59 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 87.2 t80 -64.28 -33.11 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.87 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -70.47 -36.55 73.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.301 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.37 90.45 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.33 -45.32 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -63.24 -38.64 91.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.453 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.6 t -65.52 -43.67 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.501 . . . . 0.0 111.134 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 33.8 t80 -76.62 -47.28 22.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.373 -172.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.0 -24.86 66.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.571 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -66.26 -26.01 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.938 0.399 . . . . 0.0 110.526 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -116.95 -24.7 7.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.304 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -139.74 61.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -80.99 -34.22 33.13 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.478 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 m -62.79 -34.38 77.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.089 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.54 HD13 ' HD3' ' A' ' 76' ' ' ARG . 62.3 tp -68.08 -35.57 78.4 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.59 177.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 80.7 mt -65.94 -39.66 85.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 110.333 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.71 -46.38 79.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.717 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.74 74.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.1 t -54.5 -47.46 73.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.483 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.38 -0.08 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.508 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -84.97 119.2 25.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.0 0.428 . . . . 0.0 110.971 -175.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -155.96 135.85 12.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.569 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.134 177.555 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.476 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.895 0.378 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -88.35 121.64 30.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.896 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -66.52 124.71 23.56 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.269 0.557 . . . . 0.0 110.522 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.34 113.22 25.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.558 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.436 ' HB ' HE22 ' A' ' 71' ' ' GLN . 0.9 OUTLIER -85.67 148.38 4.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.42 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -92.45 105.87 17.97 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.027 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -79.35 177.12 9.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.518 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.0 m -53.13 -47.11 68.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.603 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.84 -41.18 99.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -63.4 -39.29 94.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.072 0.463 . . . . 0.0 109.774 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -64.61 -37.19 86.7 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.943 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -70.72 -24.04 62.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.271 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -70.07 -52.77 21.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.98 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -62.75 -38.97 92.64 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.851 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.646 HH21 ' C1 ' ' A' ' 201' ' ' ACD . 5.0 ttm180 -59.06 -43.09 91.69 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.044 0.449 . . . . 0.0 110.035 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.0 m -61.71 -51.33 68.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -40.53 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -176.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -65.27 -33.93 77.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.559 0.219 . . . . 0.0 110.911 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -65.8 -54.18 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -65.5 -22.02 66.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.603 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 t -87.87 -48.19 8.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.6 11.42 8.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m120 57.33 32.92 22.54 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.406 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.64 120.68 67.87 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.651 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.55 140.44 93.95 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.796 2.33 . . . . 0.0 111.958 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.61 58.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.94 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -57.11 -49.27 76.42 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.464 0.477 . . . . 0.0 111.145 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -61.01 -35.78 77.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.73 -43.26 87.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.204 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.52 -36.11 77.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 110.648 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.02 -53.62 50.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 178.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -59.89 -32.0 70.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.874 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.25 -30.18 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.525 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -104.19 16.89 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.5 m95 56.28 44.4 24.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -109.75 109.37 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.518 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -115.83 97.58 49.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.569 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -64.3 146.4 90.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.544 2.163 . . . . 0.0 111.928 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.39 80.94 3.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.452 0.644 . . . . 0.0 109.461 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.66 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -141.96 150.24 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.161 -177.445 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.49 -42.31 67.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.222 0.326 . . . . 0.0 111.789 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.3 m -57.03 -56.59 19.77 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.467 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.3 m -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.66 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.3 mtt -65.38 -49.72 68.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.297 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.5 m -66.78 -29.91 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.729 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.21 -47.48 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.333 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.97 -38.47 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.633 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -59.7 -52.16 66.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -58.96 -47.29 85.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.06 -48.81 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.385 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.492 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.3 m-30 -62.69 -29.05 70.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 110.854 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -78.85 -38.33 38.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.264 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -70.07 -27.4 64.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.646 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.6 mtp -87.49 2.59 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.55 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 54.92 35.56 24.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.945 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.431 HD22 HD23 ' A' ' 68' ' ' LEU . 7.1 mt -106.61 -15.66 14.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.522 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.492 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.2 t80 -136.86 134.31 36.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.492 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -113.08 142.78 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.834 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -66.68 -19.48 65.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.841 -174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -109.22 -56.76 2.25 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.604 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.9 -15.42 57.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.644 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.49 -149.8 27.76 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.206 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.76 123.57 13.55 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.956 2.437 . . . . 0.0 111.885 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.6 93.0 8.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -54.03 -35.68 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.016 -174.762 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.24 -56.36 22.52 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.902 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -59.79 -37.39 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.182 0.515 . . . . 0.0 110.297 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 HD22 ' A' ' 56' ' ' LEU . 18.2 mt -63.04 -45.9 90.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.806 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 65' ' ' VAL . 89.6 t -68.92 -41.97 82.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.889 0.376 . . . . 0.0 110.684 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.6 -24.98 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.263 0.554 . . . . 0.0 110.534 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 29.2 tp60 -90.0 -59.93 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.135 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.36 -45.82 89.41 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.45 -175.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.83 33.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -72.43 84.6 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.447 . . . . 0.0 109.863 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.76 26.7 8.89 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.255 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -150.36 166.39 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.935 -0.156 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.47 105.59 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.374 0.607 . . . . 0.0 111.631 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.83 72.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.814 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.3 -39.11 89.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.986 0.422 . . . . 0.0 111.028 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.95 -46.0 86.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.384 0.611 . . . . 0.0 109.446 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.2 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.667 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -53.92 -43.97 70.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.79 0.436 . . . . 0.0 110.74 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -51.94 66.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.44 -44.93 89.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 89' ' ' VAL . 39.6 t -55.98 -50.82 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 CA-C-O 120.802 0.334 . . . . 0.0 111.237 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.5 mt -57.7 -31.93 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.627 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.32 -8.17 55.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.176 0.513 . . . . 0.0 110.745 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 24.4 m -114.15 -11.28 12.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.801 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 85' ' ' VAL . 79.6 t -75.55 102.41 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -122.74 158.66 29.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.624 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -74.94 151.64 38.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.402 ' HB2' ' CD2' ' A' ' 100' ' ' TRP . 57.5 t30 -77.74 76.43 4.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.462 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -81.97 -26.32 34.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.898 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.36 -14.91 54.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.675 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 66.76 21.57 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.177 -0.919 . . . . 0.0 113.282 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.88 115.89 22.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.196 0.522 . . . . 0.0 110.09 172.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -32.5 65.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.492 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 76.8 m -64.7 -37.4 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.439 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.415 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 47.4 t-80 -85.53 -20.24 29.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.402 ' CD2' ' HB2' ' A' ' 92' ' ' ASN . 10.0 t90 -69.73 -53.19 19.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 110.128 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.462 0.648 . . . . 0.0 109.952 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 62.5 t80 -72.79 -28.65 62.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.574 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -66.27 -46.34 77.38 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.939 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.05 -45.69 93.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.946 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.81 -46.8 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 0.0 111.113 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -66.73 -37.79 85.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.12 -175.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.7 t -64.19 -42.82 96.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.34 -48.14 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.94 -20.44 65.22 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.05 0.452 . . . . 0.0 111.059 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -60.36 -36.72 78.67 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.453 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.83 -31.7 6.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.713 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -133.04 70.46 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.186 -173.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -84.77 -36.3 21.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.639 0.257 . . . . 0.0 111.412 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.7 m -62.65 -34.54 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.948 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.59 -33.75 76.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.17 -41.79 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -69.77 -37.9 76.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.826 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.89 67.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.452 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.472 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.0 t -56.5 -45.28 81.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.545 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 27.4 pt -85.83 -2.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -83.56 119.32 24.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.013 0.435 . . . . 0.0 110.702 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -147.11 97.06 2.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.821 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.628 178.257 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.646 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.245 0.545 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -112.93 57.26 0.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -75.24 121.73 22.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.286 -175.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.94 131.34 52.31 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.963 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.65 147.0 5.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.439 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -75.79 98.8 4.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.823 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.8 p -86.37 -170.25 3.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.816 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.435 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 69.5 m -59.57 -46.6 88.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.118 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.47 -44.29 84.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.41 -47.6 81.32 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.094 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.9 tp -57.79 -36.83 72.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.074 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 8' ' ' THR . 57.2 mt-30 -58.16 -40.73 82.16 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.951 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 51.3 ttt180 -66.11 -46.12 78.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 177.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -62.24 -33.44 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.026 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 17.2 mtt180 -60.03 -53.32 59.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -52.59 -52.02 57.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.466 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.8 mt-10 -64.23 -31.6 72.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.838 -176.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 97.8 m -76.52 -32.86 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.773 175.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.17 -51.52 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 p -65.84 -31.54 72.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.718 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -76.39 -50.02 15.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.4 mt -82.83 4.52 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 111.805 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t30 56.44 41.35 28.95 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.18 125.06 89.53 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.471 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -64.37 143.64 83.33 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.779 2.319 . . . . 0.0 111.49 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.49 -31.81 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.401 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.17 -54.26 32.96 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.5 m-85 -61.9 -36.96 82.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.24 -44.43 87.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.802 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.3 mt-10 -61.3 -35.59 77.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.21 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -69.94 -45.74 66.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.245 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 17.7 m-85 -58.03 -41.54 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.964 0.411 . . . . 0.0 111.375 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -63.52 -27.46 69.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.374 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -96.72 21.97 8.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.438 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 99.4 m95 53.21 44.74 29.81 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.024 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.58 114.22 18.45 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.84 93.67 46.78 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -173.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.5 147.43 86.31 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.625 2.217 . . . . 0.0 113.131 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.54 84.51 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.191 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' O ' ' HG3' ' A' ' 44' ' ' MET . 21.2 t70 -157.36 147.2 20.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.71 -31.31 47.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.342 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.9 m -57.25 -57.88 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.148 0.499 . . . . 0.0 110.634 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.438 HG23 ' CE1' ' A' ' 32' ' ' PHE . 27.3 m -59.39 -36.36 75.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.413 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.573 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 61.2 mtt -63.34 -52.1 63.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.359 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -23.13 56.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.516 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.6 -46.43 87.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.18 -40.03 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.886 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -61.96 -48.92 78.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 t -57.53 -48.33 79.58 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.376 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG11 ' H32' ' A' ' 201' ' ' ACD . 76.7 t -65.33 -47.44 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 121.049 0.452 . . . . 0.0 111.216 -177.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -64.23 -27.86 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.07 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -78.07 -37.31 46.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.893 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.478 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 24.2 mtpp -71.46 -27.54 63.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -87.92 1.34 54.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.079 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 56.23 49.87 14.52 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD22 HD23 ' A' ' 68' ' ' LEU . 7.6 mt -121.33 -19.84 6.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.872 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 68.9 t80 -137.07 132.12 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.106 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.33 135.4 45.04 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.02 -19.63 65.92 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 111.303 -172.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.7 m -100.16 -59.44 1.71 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.985 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -82.11 -17.53 46.12 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.46 -154.55 21.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.224 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -59.87 122.34 11.26 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.085 2.523 . . . . 0.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 mt -86.26 89.53 7.88 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.2 t -51.06 -41.98 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.727 -173.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.84 -51.77 68.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.201 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.43 -34.73 78.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.463 . . . . 0.0 110.389 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -60.57 -47.51 85.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.24 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' VAL . 95.7 t -65.8 -41.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.309 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.72 -30.72 69.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.083 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.259 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.406 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.9 mt -64.52 -42.45 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.95 32.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -68.3 89.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.876 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 30.46 13.45 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.205 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -146.94 178.15 8.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 111.547 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.74 107.83 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.24 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.364 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.37 -47.69 84.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.2 tt0 -63.1 -49.26 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.3 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.72 -46.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -54.54 -44.81 73.17 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.759 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.1 m -62.13 -53.1 60.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.189 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.6 mt-10 -59.52 -35.98 75.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.713 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.38 -51.01 73.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.601 0.239 . . . . 0.0 111.173 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.47 -32.62 67.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.66 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.83 -8.54 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.06 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.6 m -114.56 -7.64 12.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.173 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.27 108.66 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.335 0.588 . . . . 0.0 110.138 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.89 172.11 7.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.342 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -100.98 163.43 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.013 0.435 . . . . 0.0 110.862 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.541 ' HB2' ' CD2' ' A' ' 100' ' ' TRP . 58.5 t30 -85.36 64.09 8.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.606 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.9 p -74.34 -20.27 60.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.6 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.4 -11.07 56.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.117 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.34 25.53 10.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.506 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.7 114.61 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.33 70.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 39.5 m -62.13 -40.26 95.32 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.115 0.483 . . . . 0.0 110.226 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -80.88 -26.81 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.745 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.541 ' CD2' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -63.31 -56.81 13.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.666 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.78 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.729 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 71.8 t80 -66.02 -34.0 77.09 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.072 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 103' ' ' ARG . 20.9 ttp180 -68.23 -39.31 82.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.65 0.262 . . . . 0.0 110.496 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.45 ' O ' H191 ' A' ' 201' ' ' ACD . . . -63.06 -46.49 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.527 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -65.87 -48.3 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -60.85 -42.9 98.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.421 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.69 -42.93 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.169 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.406 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 26.0 t80 -74.18 -46.78 39.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 -173.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -9.82 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -64.5 -36.53 84.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.997 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.29 -14.88 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -126.13 51.74 1.76 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.9 tp -83.5 -28.17 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.609 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 t -66.29 -32.23 73.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.1 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.94 -34.35 75.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.142 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.66 -40.83 87.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.207 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.34 -34.71 78.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.516 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.06 -31.26 62.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.423 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.8 t -59.06 -41.3 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.669 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.9 pt -92.72 0.82 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.135 0.493 . . . . 0.0 111.137 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -91.27 130.61 37.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.873 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -84.38 134.67 34.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.853 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.577 -178.264 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.577 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.084 0.468 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.57 128.78 54.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.58 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -76.42 124.98 28.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.938 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 129.54 56.03 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.903 177.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.82 144.66 9.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -90.33 105.62 17.94 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.35 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.9 p -81.81 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.881 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m -58.32 -41.56 84.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.921 0.391 . . . . 0.0 110.924 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.29 -44.53 96.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.041 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -64.96 -40.53 95.13 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.044 0.449 . . . . 0.0 109.97 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.615 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.7 tp -58.68 -43.58 90.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.52 -175.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.13 -31.14 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 -175.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -70.45 -40.67 73.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.341 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.64 -37.4 82.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.641 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 25.3 mtm180 -64.95 -39.1 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.5 m -66.56 -45.76 78.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -54.82 -40.44 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.528 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.96 -31.64 50.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.579 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.49 -52.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 0.0 110.516 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -66.63 -31.86 72.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.43 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 t -75.28 -48.6 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.714 0.292 . . . . 0.0 110.973 -176.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.3 t30 54.6 39.98 31.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.244 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.55 122.28 81.13 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.69 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.63 143.04 91.87 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.827 2.351 . . . . 0.0 111.271 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.578 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.01 -32.68 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.202 -177.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.73 -55.26 14.57 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.701 0.626 . . . . 0.0 111.128 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.13 -36.93 85.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.694 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.41 -42.14 86.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.659 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.4 mt-10 -58.44 -35.61 72.39 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 110.469 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -67.31 -48.8 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.685 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 43' ' ' THR . 11.0 m-85 -60.66 -31.85 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.949 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HA ' HH22 ' A' ' 15' ' ' ARG . 34.9 tttm -71.19 -10.06 59.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -119.72 21.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 57.68 44.95 19.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.227 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -119.05 116.02 25.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.007 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.86 84.7 49.98 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.08 148.53 88.93 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.46 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -73.46 90.02 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.977 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.563 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.6 t70 -154.98 145.98 22.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.087 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.95 -25.56 66.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.746 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -62.64 -57.85 9.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.418 HG23 ' CE1' ' A' ' 32' ' ' PHE . 25.9 m -55.77 -35.78 66.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.26 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.575 ' HG2' ' CG ' ' A' ' 102' ' ' PHE . 66.2 mtt -65.35 -51.16 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.41 -176.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.577 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 85.5 m -64.29 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -62.49 -41.45 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.023 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.633 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.0 OUTLIER -63.25 -45.68 90.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.424 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -57.36 -47.73 80.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.132 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.27 -46.74 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.267 0.556 . . . . 0.0 110.856 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.463 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 4.0 m-30 -65.29 -25.18 67.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.725 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -79.86 -37.83 34.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.845 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -69.38 -27.66 65.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.3 mtp -91.51 5.62 48.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.516 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 55.98 46.96 20.88 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.254 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.49 -18.15 6.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.222 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 78.4 t80 -140.27 139.44 35.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.577 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -118.67 140.83 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.04 -10.12 59.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.886 0.374 . . . . 0.0 111.669 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m -110.51 -57.21 2.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.156 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.55 -8.63 59.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.016 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.56 -154.98 36.93 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.638 -0.792 . . . . 0.0 113.067 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.77 121.99 10.88 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.093 2.529 . . . . 0.0 111.837 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -83.3 90.27 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.121 0.486 . . . . 0.0 109.743 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.9 t -50.24 -44.92 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.574 -173.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.08 -55.26 37.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.5 0.191 . . . . 0.0 111.364 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.7 -35.12 77.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 65' ' ' VAL . 87.5 t -70.53 -44.73 76.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -62.29 -24.82 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 111.512 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -89.83 -60.26 1.98 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.041 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 95.9 mt -63.77 -46.11 86.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.265 -175.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -74.76 34.06 0.1 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -69.98 84.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.36 37.7 5.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.859 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -154.66 165.12 37.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.535 0.207 . . . . 0.0 110.816 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.32 107.92 1.0 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.658 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.18 71.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.975 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.11 -39.22 89.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -48.51 71.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.52 -48.09 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.845 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -53.04 -40.41 63.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.3 m -65.01 -55.51 18.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.715 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.3 -27.62 69.45 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.51 -50.2 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.856 0.36 . . . . 0.0 110.587 171.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.5 mt -58.09 -31.0 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.778 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.14 -19.35 65.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.189 0.518 . . . . 0.0 110.687 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -104.59 -9.48 18.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.966 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -77.45 105.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.124 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -103.57 170.46 7.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.229 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -90.82 153.35 20.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.536 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -79.23 64.71 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.1 p -80.73 -15.67 55.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.303 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.35 -24.25 50.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.7 t30 59.35 32.96 22.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.049 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -149.65 117.55 6.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.681 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.15 77.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.078 -174.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.633 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 66.1 m -62.55 -46.92 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.741 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -76.15 -28.74 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.034 0.445 . . . . 0.0 110.273 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -66.71 -56.24 11.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.62 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.84 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.306 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 79.7 t80 -65.32 -35.3 80.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.251 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 103' ' ' ARG . 38.3 ttp180 -74.58 -32.51 62.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.99 -44.66 97.05 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.239 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -68.03 -48.21 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.604 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -56.4 -50.1 72.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.386 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -56.48 -45.01 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -74.9 -45.92 39.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.093 -174.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -67.69 -16.8 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.369 . . . . 0.0 111.274 -178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.25 -30.04 70.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.809 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -121.62 -24.91 5.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.1 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.5 m-20 -134.36 60.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 111.591 -172.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.6 -31.07 22.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.863 0.363 . . . . 0.0 110.713 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -63.85 -33.2 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.6 tp -68.51 -36.58 79.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.156 0.503 . . . . 0.0 109.993 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 112' ' ' ASN . 60.8 mt -64.5 -44.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.48 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.4 -33.34 48.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.202 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 90.2 p -64.0 -32.66 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 34.9 pt -91.09 0.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.481 . . . . 0.0 110.754 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -90.76 121.97 33.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -133.56 127.7 33.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.984 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.193 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.641 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.633 0.254 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.44 131.86 54.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.73 0.3 . . . . 0.0 110.703 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -86.85 97.92 10.92 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.482 0.658 . . . . 0.0 109.611 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.6 109.28 3.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.55 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.13 149.58 13.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p -76.97 102.2 6.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.405 HG22 ' HB3' ' A' ' 122' ' ' LYS . 82.7 p -75.17 173.59 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.293 -176.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.4 m -53.01 -47.39 68.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.663 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.24 -50.53 71.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.614 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -60.01 -41.16 91.52 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.133 0.492 . . . . 0.0 109.839 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 60.1 tp -63.93 -38.76 92.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.025 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.18 -33.12 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.355 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.626 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 79.7 ttt180 -61.76 -60.66 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.411 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -60.35 -37.55 81.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.539 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.492 HH11 ' C1 ' ' A' ' 201' ' ' ACD . 0.8 OUTLIER -64.09 -40.7 96.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.181 -177.198 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -68.58 -43.06 77.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.1 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 27.6 mm-40 -54.98 -49.78 70.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.317 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.9 -54.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -69.22 -18.36 63.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.611 -176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 m -88.95 -47.9 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.286 -0.258 . . . . 0.0 111.042 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.52 10.9 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 55.97 38.12 29.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.2 mm -70.66 120.57 79.77 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.12 140.14 93.7 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.685 2.257 . . . . 0.0 111.999 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.72 -31.57 62.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.565 -177.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.4 m-20 -53.12 -51.02 63.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.224 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 29.6 m-85 -60.33 -40.25 89.98 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.094 177.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.99 -45.89 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.482 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -61.06 -37.16 81.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.309 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 92.7 mttt -64.42 -43.35 94.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.795 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 16.3 m-85 -60.04 -32.69 71.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -66.84 -22.61 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.254 0.549 . . . . 0.0 110.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -100.95 17.32 22.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.964 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.4 m95 54.1 39.85 31.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.799 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -113.0 109.6 19.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.045 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -115.72 90.81 27.94 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.135 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -54.74 140.03 77.29 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.333 2.022 . . . . 0.0 112.136 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.28 85.77 1.43 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.185 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -150.68 145.18 25.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.703 -177.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.54 -35.39 53.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.408 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -59.84 -51.68 68.67 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.063 0.459 . . . . 0.0 110.729 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.422 HG23 ' CE2' ' A' ' 32' ' ' PHE . 21.3 m -61.72 -33.05 73.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.837 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 63.0 mtt -69.94 -49.79 48.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.5 -174.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.45 -30.43 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.307 . . . . 0.0 110.289 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.18 -51.29 69.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -59.16 -37.77 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.828 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.63 -50.21 73.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.46 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -59.37 -47.65 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.407 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.56 -50.38 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.209 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-85 -65.07 -25.83 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.875 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -78.73 -39.52 36.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.29 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -75.33 -20.1 59.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.184 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 80.5 mtp -89.33 6.04 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 176.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 55.83 44.23 26.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.432 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 68' ' ' LEU . 7.7 mt -122.34 -18.54 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.188 -175.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 71.7 t80 -143.7 142.44 30.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.753 178.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.595 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 31.3 t70 -130.27 143.71 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.41 -12.24 60.02 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.134 0.492 . . . . 0.0 110.884 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.595 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 38.8 m -97.13 -62.2 1.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.227 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.3 -18.31 52.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.92 -155.86 28.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.468 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.7 122.41 11.6 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 123.021 2.481 . . . . 0.0 111.484 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.84 85.72 6.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 69' ' ' VAL . 94.3 t -48.1 -44.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.494 -173.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -58.9 -53.56 56.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.749 0.309 . . . . 0.0 111.327 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.87 -32.38 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.559 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.435 HD23 HD22 ' A' ' 56' ' ' LEU . 18.5 mt -62.04 -45.83 91.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.49 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 65' ' ' VAL . 69.4 t -69.77 -41.73 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -53.94 -37.97 64.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.338 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 61.6 tp60 -86.93 -59.13 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.639 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 96.0 mt -65.21 -46.74 79.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -74.76 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -69.45 92.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.065 0.459 . . . . 0.0 110.121 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.12 26.35 19.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.954 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -145.19 161.41 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.585 0.231 . . . . 0.0 110.421 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.87 109.69 0.77 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.839 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.92 80.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.727 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.05 -37.8 88.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 111.493 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 1.8 mp0 -61.88 -49.8 74.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.333 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.08 -46.26 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.955 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -52.19 -44.7 64.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.4 m -61.86 -52.33 64.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.985 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 31.1 mt-10 -57.24 -41.85 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.298 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.4 t -58.68 -49.89 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.071 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.29 -28.08 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.6 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.85 -6.82 52.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.245 0.545 . . . . 0.0 110.815 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.8 m -113.35 -11.09 13.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.293 177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 85' ' ' VAL . 99.2 t -79.58 132.93 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.952 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -152.52 174.47 13.87 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -89.8 151.76 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.783 0.325 . . . . 0.0 110.783 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.453 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 56.5 t30 -77.06 72.03 3.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.45 0.643 . . . . 0.0 110.795 -177.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 p -80.97 -14.87 57.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.343 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -81.87 -17.17 48.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 66.01 19.63 11.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.516 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.32 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.9 70.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.849 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.23 -41.93 97.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.704 0.287 . . . . 0.0 110.287 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.682 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 32.3 t-80 -77.33 -29.81 53.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.453 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 8.8 t90 -60.38 -56.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . . . -62.5 -37.12 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.464 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 71.7 t80 -66.34 -32.11 73.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.136 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.682 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 41.2 mtm180 -67.59 -45.89 74.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.44 96.11 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.755 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -66.58 -46.69 75.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.863 0.363 . . . . 0.0 111.056 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -69.24 -37.11 77.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.239 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 37.9 t80 -76.46 -50.2 14.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.94 -22.77 65.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.39 -34.18 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -129.53 64.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.425 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -86.2 -30.84 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.183 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -65.88 -35.25 80.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.1 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.331 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.25 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.27 -46.39 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.589 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.72 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.681 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.449 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.7 t -59.16 -45.63 90.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.554 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -86.68 0.03 6.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.119 0.485 . . . . 0.0 111.208 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -90.63 125.29 35.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.325 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' HB3' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -147.37 93.92 2.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.458 0.647 . . . . 0.0 109.965 -178.097 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.301 -177.806 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.492 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.813 0.339 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -101.94 138.24 39.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.048 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.63 135.56 34.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.884 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 130.59 54.98 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.212 0.53 . . . . 0.0 111.274 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 m -101.58 149.64 6.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.942 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -73.55 92.82 1.95 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.544 -176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -80.91 -172.71 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.607 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 13.7 m -59.61 -39.12 83.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.0 -53.99 50.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.38 -39.57 93.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 66.0 tp -60.5 -35.0 74.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.35 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 8' ' ' THR . 26.6 mm-40 -66.32 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 0.0 110.673 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -63.29 -55.85 21.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.659 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -63.55 -37.16 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.142 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.534 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.8 OUTLIER -66.6 -38.02 86.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.766 -178.39 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -65.72 -48.39 72.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -50.02 50.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.97 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.9 m -68.54 -36.36 78.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.69 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.91 -49.36 80.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.291 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -62.19 -34.77 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.473 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -81.4 -47.77 12.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.38 8.97 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 m120 55.69 34.45 23.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.568 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.8 mm -64.56 120.37 65.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.301 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -62.29 141.98 89.62 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.606 2.204 . . . . 0.0 111.514 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.04 -31.06 60.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.37 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -54.18 -50.42 67.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.252 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.2 m-85 -61.52 -37.97 85.68 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.233 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.29 -42.57 84.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.5 mt-10 -64.08 -32.88 74.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.761 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.98 -51.93 54.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.445 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CE2' HG23 ' A' ' 43' ' ' THR . 11.5 m-85 -59.09 -34.6 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.759 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -62.83 -27.01 69.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.75 11.42 38.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.4 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.7 m95 62.01 46.79 6.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.33 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.11 110.42 15.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.199 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -114.92 94.91 39.85 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.206 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -64.28 151.76 84.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.733 2.289 . . . . 0.0 112.59 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -77.27 87.53 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.017 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.6 t70 -151.17 145.78 25.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.939 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.56 -25.35 67.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.691 -173.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -63.22 -56.24 18.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.436 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.465 HG23 ' CE2' ' A' ' 32' ' ' PHE . 29.7 m -56.47 -36.77 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.43 177.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.25 -49.95 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.686 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.96 -30.34 70.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.495 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.91 -49.42 77.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.04 -38.15 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.1 tmmm? -58.39 -56.55 20.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -56.4 -48.2 77.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.699 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.42 -49.13 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.268 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -64.24 -28.01 69.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.803 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -77.26 -42.63 36.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.38 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -69.55 -29.41 66.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.773 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.7 mtp -83.52 5.79 22.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.501 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 56.35 41.06 29.52 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.427 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.0 mt -117.08 -16.29 10.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.644 -175.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.8 t80 -145.34 137.33 25.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 32.0 t70 -124.61 146.08 49.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.286 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.64 -11.24 60.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.745 0.307 . . . . 0.0 111.345 -175.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.482 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 41.8 m -100.23 -65.76 0.95 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.097 176.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -74.19 -16.18 60.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 -145.8 28.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.098 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.67 119.94 7.1 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.503 2.136 . . . . 0.0 111.942 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.27 93.3 5.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.079 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 69' ' ' VAL . 72.0 t -51.54 -44.47 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.862 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.85 -52.11 67.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.565 0.221 . . . . 0.0 111.568 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.51 -33.22 73.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.541 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.8 -45.5 94.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.0 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 65' ' ' VAL . 97.8 t -69.83 -41.18 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.958 177.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -63.86 -27.77 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 74' ' ' HIS . 30.9 tp60 -90.37 -60.13 2.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.737 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.511 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 90.1 mt -62.67 -44.85 95.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.38 33.41 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.8 t-80 -74.36 82.81 1.92 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.602 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.0 6.52 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.183 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' HD13 ' A' ' 115' ' ' LEU . 18.2 mtp180 -153.3 169.58 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.71 117.09 8.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.553 0.692 . . . . 0.0 110.997 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.494 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.66 -44.45 77.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 110.726 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.18 -48.35 78.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.356 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.2 -45.47 80.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.425 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -51.43 -47.55 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -63.39 -48.61 77.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.132 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.38 -43.17 78.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 89' ' ' VAL . 36.3 t -58.82 -50.0 80.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.659 0.266 . . . . 0.0 111.05 176.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.73 -29.43 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.727 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.52 -10.62 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.896 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -112.29 -9.4 13.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.4 t -79.18 106.83 10.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.95 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.099 0.476 . . . . 0.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -87.72 155.78 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.062 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -81.7 72.4 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.248 0.547 . . . . 0.0 110.73 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.0 p -89.09 -12.27 41.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.378 0.609 . . . . 0.0 109.998 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' HH12 ' A' ' 103' ' ' ARG . 4.1 m-20 -75.69 -26.63 57.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.098 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 61.71 27.21 16.66 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.723 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -147.56 110.06 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.727 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.01 71.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.85 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 64.3 m -62.4 -40.4 96.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.685 0.279 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.26 -28.61 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.29 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -65.34 -55.18 19.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.305 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.42 86.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 77.4 t80 -66.8 -34.35 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.419 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.435 HH12 ' CG ' ' A' ' 94' ' ' ASP . 38.1 ttp-105 -71.51 -35.88 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.191 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.437 ' O ' H191 ' A' ' 201' ' ' ACD . . . -63.22 -46.35 93.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.496 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -65.9 -46.76 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.915 0.388 . . . . 0.0 110.875 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -65.95 -37.0 84.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.069 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.69 -40.73 98.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.272 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.511 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 36.4 t80 -77.18 -48.88 16.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.572 -173.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -64.81 -23.57 67.28 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 120.717 0.294 . . . . 0.0 111.351 -176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -64.0 -21.88 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.788 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -116.55 -34.88 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.568 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -132.95 70.1 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.278 -170.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.1 tp -88.68 -33.04 17.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.35 . . . . 0.0 111.273 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -62.86 -35.51 80.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 109.902 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.462 HD13 ' HD3' ' A' ' 76' ' ' ARG . 31.5 tp -64.64 -35.83 82.29 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.77 -41.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.071 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.4 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.4 mttt -67.31 -36.38 81.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.714 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.67 45.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.394 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.2 p -70.84 -30.94 67.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.5 pt -97.74 -6.31 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 122' ' ' LYS . 38.9 ttpt -91.1 119.06 30.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.283 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 121' ' ' LYS . 34.2 tttt 69.93 140.41 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.799 0.687 . . . . 0.0 111.164 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.318 -0.763 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.288 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.534 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.563 0.22 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.94 133.6 40.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.106 0.479 . . . . 0.0 111.483 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.71 128.84 34.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.287 174.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.76 118.56 34.59 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.037 0.446 . . . . 0.0 110.137 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.16 142.22 14.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.27 -178.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p -79.37 97.17 6.23 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.932 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.507 HG22 ' OD2' ' A' ' 10' ' ' ASP . 11.7 t -79.64 -177.42 5.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -51.5 -51.68 53.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.67 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.507 ' OD2' HG22 ' A' ' 7' ' ' THR . 9.0 m-20 -58.61 -41.36 85.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.12 -41.91 99.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.948 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.178 0.513 . . . . 0.0 110.39 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.4 ttm180 -64.71 -50.89 65.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.632 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.95 -34.1 77.22 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.937 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.99 -46.62 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.77 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -61.96 -47.8 83.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.666 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.66 -31.3 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -82.8 -35.32 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.15 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -66.5 -53.83 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -68.87 -17.32 63.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.328 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -90.75 -47.85 7.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.045 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -84.28 11.3 8.55 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.91 40.18 29.02 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.268 0.556 . . . . 0.0 110.934 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.7 mm -74.36 120.2 80.25 Favored Pre-proline 0 N--CA 1.452 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.179 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.53 141.68 95.98 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.811 2.341 . . . . 0.0 111.708 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.65 -34.26 61.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.631 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.79 -46.48 84.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -60.58 -38.4 84.49 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.351 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.72 -41.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.276 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.3 mt-10 -67.46 -30.28 69.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -63.68 -49.17 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.283 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.2 -34.64 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.363 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -62.42 -33.7 75.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -89.88 17.63 6.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.194 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.458 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.5 m95 55.24 38.69 30.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.166 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -113.81 110.51 20.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.251 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.7 90.69 32.34 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.526 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.31 143.69 85.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.338 2.026 . . . . 0.0 112.402 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.06 78.32 3.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.815 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.7 t70 -144.18 148.88 35.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.45 -174.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.18 -42.55 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.226 0.329 . . . . 0.0 111.721 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -53.37 -57.23 11.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.307 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 m -60.06 -34.66 73.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.394 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -64.72 -52.15 58.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.435 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -65.86 -29.99 70.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.673 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.579 ' O ' HG13 ' A' ' 50' ' ' VAL . 36.8 t80 -60.46 -51.63 68.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.15 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -57.74 -42.89 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.821 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.61 -45.75 91.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.42 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -60.36 -47.85 84.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.989 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 46' ' ' TYR . 0.9 OUTLIER -71.76 -27.62 28.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.0 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.0 m-30 -68.37 -27.02 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.36 -43.14 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.681 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -62.71 -32.64 73.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.612 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.7 mtp -91.71 0.19 57.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 58.49 48.68 11.71 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.338 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.94 -13.78 7.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.55 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.556 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 82.6 t80 -139.89 141.9 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 24.1 t70 -123.89 147.2 47.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -65.2 -21.3 66.74 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.4 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.402 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 38.2 m -103.57 -66.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.649 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -69.83 -13.4 62.25 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.73 -145.84 30.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.117 -1.039 . . . . 0.0 111.842 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.29 121.9 10.5 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.681 2.254 . . . . 0.0 111.672 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.11 89.0 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.875 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 69' ' ' VAL . 84.1 t -50.43 -44.36 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.933 -1.031 . . . . 0.0 112.736 -173.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.47 -52.03 66.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.74 -34.27 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.323 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' CD2' H161 ' A' ' 201' ' ' ACD . 18.3 mt -61.16 -47.37 86.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.269 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -66.86 -42.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.81 -30.41 68.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.987 0.422 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.2 mt -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.475 -174.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.22 32.84 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.1 t-80 -72.64 88.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.745 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.56 20.34 15.35 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.257 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HD3' HD13 ' A' ' 115' ' ' LEU . 12.3 mtp180 -146.96 169.59 18.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.292 0.568 . . . . 0.0 111.886 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.5 m-20 -65.27 109.56 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.159 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.85 90.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.671 -175.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.35 -33.2 74.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.176 0.512 . . . . 0.0 110.658 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 2.5 mp0 -71.11 -45.92 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 77' ' ' ASP . 69.9 t -55.58 -45.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.363 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -52.14 -43.71 64.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.176 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -65.39 -50.27 66.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.062 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 30.3 mt-10 -56.97 -43.66 81.85 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.208 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.1 t -58.38 -48.97 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-O 120.68 0.276 . . . . 0.0 111.434 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.81 -28.58 66.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.786 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -75.48 -9.58 58.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 110.889 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.3 m -111.7 -11.7 13.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.719 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.74 105.7 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.672 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.24 175.52 5.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.657 -176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -101.26 151.51 21.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.69 0.281 . . . . 0.0 110.985 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.17 70.37 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.503 0.668 . . . . 0.0 110.721 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 p -81.59 -20.52 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.595 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.44 -9.03 57.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.297 0.57 . . . . 0.0 110.664 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.17 37.27 20.85 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.917 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -152.43 120.17 6.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.906 -176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.5 -32.84 74.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.01 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.9 m -60.58 -40.52 92.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.883 0.373 . . . . 0.0 110.405 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -82.41 -28.44 31.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.086 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -66.08 -52.87 44.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.138 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.38 84.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.481 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 75.6 t80 -66.71 -34.52 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.865 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.27 -39.89 89.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.207 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.58 81.08 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.79 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -63.05 -48.07 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.727 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -62.73 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.4 t -62.87 -43.41 98.86 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.198 0.523 . . . . 0.0 110.877 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.528 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 22.6 t80 -74.8 -42.1 58.73 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.006 -172.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -7.06 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 111.308 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -86.65 -20.01 28.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -128.99 -16.19 4.13 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.01 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.529 ' O ' HG13 ' A' ' 116' ' ' ILE . 14.4 m-80 -147.35 68.07 1.14 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.373 0.269 . . . . 0.0 110.971 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.3 tp -83.39 -36.14 24.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.08 0.467 . . . . 0.0 110.767 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 m -62.66 -35.94 81.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.14 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.463 HD13 ' HD3' ' A' ' 76' ' ' ARG . 49.1 tp -66.36 -35.14 79.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.394 177.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 112' ' ' ASN . 59.5 mt -66.3 -42.61 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.121 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.458 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.7 mttt -64.34 -40.72 96.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.592 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.89 -20.02 58.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.32 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.449 ' HA ' ' HB3' ' A' ' 74' ' ' HIS . 82.6 p -71.35 -34.73 70.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.7 pt -96.93 -10.94 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 117' ' ' LYS . 16.8 tptm -91.08 126.18 36.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.309 -177.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.95 68.94 0.68 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.646 0.736 . . . . 0.0 110.095 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.072 -175.593 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.428 H161 H131 ' A' ' 201' ' ' ACD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.972 0.415 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -137.9 122.69 18.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.656 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -64.89 121.75 15.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.498 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.13 121.67 40.34 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.274 0.559 . . . . 0.0 110.747 -176.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -97.0 158.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.15 177.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -91.93 95.19 9.68 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.126 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -75.12 -174.72 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.061 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.536 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 11.5 m -59.52 -43.14 93.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.097 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.33 -46.65 87.74 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.87 -39.82 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.077 0.465 . . . . 0.0 110.212 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 67.4 tp -64.16 -41.12 97.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.171 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 8' ' ' THR . 94.8 mt-30 -67.4 -22.72 65.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.278 0.561 . . . . 0.0 110.116 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 31.7 ttm180 -70.92 -62.48 1.38 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.69 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -59.06 -38.42 79.36 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.573 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.46 -36.82 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.591 -175.453 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -69.53 -42.33 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 0.0 110.577 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.1 mm-40 -56.61 -50.65 71.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.131 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -64.43 -37.27 86.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.62 -53.04 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 120.896 0.379 . . . . 0.0 110.714 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 t -64.18 -36.99 85.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.289 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -75.63 -48.09 23.66 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.54 10.85 8.06 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -173.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.76 38.61 27.44 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.361 0.601 . . . . 0.0 111.063 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -73.17 122.34 87.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.209 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.03 143.55 91.07 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.822 2.348 . . . . 0.0 112.11 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.57 63.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.339 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.75 -52.57 63.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.9 175.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.2 -40.5 94.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.242 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.3 -40.93 82.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.083 0.468 . . . . 0.0 110.819 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -38.22 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.365 177.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.72 -48.09 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.477 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CE1' HG23 ' A' ' 43' ' ' THR . 13.6 m-85 -57.63 -24.25 55.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.264 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -64.77 -31.06 72.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.431 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -107.88 30.7 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.7 m95 51.55 41.04 28.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.33 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -105.42 109.19 21.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.971 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -115.97 91.67 32.12 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.5 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.66 140.67 94.24 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 112.074 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.59 89.45 3.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.69 0.757 . . . . 0.0 109.814 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.3 t70 -155.6 145.22 21.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.018 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.55 -29.98 39.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.243 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 m -58.04 -59.16 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.461 ' O ' HG12 ' A' ' 47' ' ' ILE . 19.1 m -57.72 -34.57 69.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.975 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -68.16 -51.18 48.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.769 -174.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.525 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 72.9 m -64.91 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -63.87 -47.51 80.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.57 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 43' ' ' THR . 28.1 mm -59.34 -41.79 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.789 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.566 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -66.0 -43.96 86.2 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.673 -178.512 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.96 -44.09 82.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 111.073 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.11 -49.09 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.203 0.525 . . . . 0.0 110.699 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -65.18 -22.99 66.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.854 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -76.78 -44.12 34.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.177 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -72.81 -24.77 60.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.05 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.2 mtp -86.99 4.94 39.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.028 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 56.2 50.49 13.36 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.297 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 71' ' ' GLN . 6.8 mt -126.56 -20.49 4.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.777 -174.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -138.11 139.35 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -121.57 141.43 51.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.524 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.21 -23.6 67.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.545 -175.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -95.93 -64.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.644 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -73.76 -16.31 61.17 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.64 -146.06 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.204 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.58 124.88 16.79 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.872 2.381 . . . . 0.0 111.934 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.8 95.36 10.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.106 0.479 . . . . 0.0 109.925 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 77.3 t -51.71 -46.61 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.838 -1.074 . . . . 0.0 113.136 -172.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.86 -52.25 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.686 0.279 . . . . 0.0 111.301 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.487 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 4.7 m-20 -62.93 -33.22 74.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.713 0.292 . . . . 0.0 110.324 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' CD2' H161 ' A' ' 201' ' ' ACD . 18.1 mt -62.41 -44.69 95.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.167 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 65' ' ' VAL . 74.7 t -68.31 -47.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -66.24 -17.74 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 111.388 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 67' ' ' ASN . 3.4 tp-100 -90.48 -60.44 1.92 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.268 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 74' ' ' HIS . 98.7 mt -69.08 -40.04 78.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.911 -173.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.75 33.2 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.446 ' H ' ' C ' ' A' ' 72' ' ' LEU . 34.9 t-80 -72.11 87.03 1.06 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.923 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.87 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.502 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.496 ' HD2' HD13 ' A' ' 115' ' ' LEU . 24.7 mtt180 -149.01 168.43 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 111.242 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' HG23 ' A' ' 81' ' ' VAL . 32.4 m-20 -61.48 105.84 0.57 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.101 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.65 67.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.974 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.56 -44.23 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.89 -42.78 94.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.101 0.477 . . . . 0.0 109.879 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 77' ' ' ASP . 95.7 t -57.72 -47.43 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.445 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 82' ' ' ARG . 20.3 ttt180 -57.82 -45.21 86.48 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.73 0.3 . . . . 0.0 110.488 176.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 m -58.89 -52.76 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.106 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -57.26 -42.32 81.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.767 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.9 t -59.67 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.6 -31.23 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.456 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -73.0 -6.61 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.044 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.8 m -113.17 -13.91 12.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 85' ' ' VAL . 57.2 t -85.13 131.22 34.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.711 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -160.15 -178.19 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.579 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 4.6 mtpm? -71.46 152.34 43.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 112.563 -171.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.522 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 0.9 OUTLIER -76.41 64.23 2.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.639 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -64.74 -24.01 67.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.599 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.74 -9.14 59.83 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.891 0.377 . . . . 0.0 110.69 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 56.39 23.78 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -133.67 117.75 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.03 77.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.343 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.566 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 86.3 m -63.55 -43.33 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -78.24 -26.92 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 12.4 t90 -68.76 -52.73 27.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.441 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.562 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 81.1 t80 -65.56 -33.93 77.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.789 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -63.79 -46.17 86.39 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.346 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.459 ' O ' H191 ' A' ' 201' ' ' ACD . . . -60.39 -44.08 97.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.755 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -68.21 -46.7 69.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -64.25 -41.09 97.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.137 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.1 t -62.96 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -75.39 -47.71 26.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.114 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -67.83 -11.13 57.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.477 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.23 -34.21 76.98 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.98 -15.45 4.8 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.271 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -128.19 55.44 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.737 0.304 . . . . 0.0 111.28 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.2 tp -83.0 -32.98 26.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.6 t -60.36 -36.5 78.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.496 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.496 HD13 ' HD2' ' A' ' 76' ' ' ARG . 46.3 tp -65.98 -35.05 79.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.4 mt -67.58 -37.81 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.322 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.76 -36.43 78.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.845 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.08 -30.24 62.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.405 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.6 t -56.48 -47.4 79.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.314 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.4 pt -90.95 3.11 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.789 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -88.49 120.5 29.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -75.09 95.54 3.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 172.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.502 -174.391 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.459 H191 ' O ' ' A' ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -80.35 114.59 19.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -62.05 104.12 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.318 0.58 . . . . 0.0 110.25 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.68 113.99 26.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.51 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 m -75.68 149.34 6.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.535 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 40.6 m -64.16 104.97 0.8 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.262 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -86.09 177.84 7.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.535 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -60.03 -41.58 92.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 109.888 177.593 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -54.19 -45.34 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.866 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.25 -40.07 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.225 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.0 tp -65.13 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 8' ' ' THR . 35.1 mt-30 -70.65 -23.44 62.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.6 ttm180 -75.49 -51.14 13.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.409 178.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.1 -30.82 71.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.927 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 40.1 mtt180 -52.53 -45.46 66.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.006 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -63.8 -52.41 60.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.76 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.91 -41.08 97.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.45 -34.92 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.62 -53.6 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -65.67 -39.17 91.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.469 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -72.84 -44.06 61.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.553 0.216 . . . . 0.0 111.218 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -87.9 10.56 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t30 54.19 41.96 31.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.236 0.541 . . . . 0.0 110.795 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.5 mm -72.1 115.92 43.47 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.459 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -61.94 144.76 96.83 Favored 'Trans proline' 0 C--O 1.238 0.501 0 C-N-CA 122.956 2.437 . . . . 0.0 111.776 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.12 -35.26 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.431 -1.259 . . . . 0.0 112.468 -174.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.6 p30 -60.01 -38.12 81.72 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.189 0.306 . . . . 0.0 111.176 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.2 -39.52 82.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.653 0.264 . . . . 0.0 110.718 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.72 -44.62 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.218 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.7 mt-10 -61.97 -31.34 71.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 60.5 mttp -69.64 -46.16 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.01 -35.83 75.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.099 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -66.74 -17.71 65.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.375 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -108.13 17.06 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.8 m95 56.25 44.8 24.27 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.096 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -123.08 109.97 14.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.049 0.452 . . . . 0.0 110.249 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -114.09 97.8 46.33 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.125 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.23 148.56 69.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.603 2.202 . . . . 0.0 112.512 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -84.25 73.65 10.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.68 0.752 . . . . 0.0 109.53 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.656 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -142.84 157.07 44.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.258 -174.021 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -56.46 -41.43 76.52 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 m -55.55 -57.39 12.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.066 0.46 . . . . 0.0 111.191 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 m -58.13 -37.29 74.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.398 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.19 -45.25 77.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.266 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 74.4 m -68.45 -27.14 65.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.078 0.466 . . . . 0.0 110.722 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.514 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 34.0 t80 -64.17 -42.68 96.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.103 174.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.59 -40.74 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.923 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -62.35 -47.36 84.53 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.727 -178.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.2 -49.72 76.05 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.412 HG11 ' H32' ' A' ' 201' ' ' ACD . 46.4 t -63.74 -47.3 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 120.919 0.39 . . . . 0.0 111.323 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.1 m-30 -64.61 -27.11 68.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -76.15 -42.23 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.86 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -69.65 -25.87 64.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.535 ' SD ' ' HB3' ' A' ' 6' ' ' SER . 46.0 mmm -82.33 2.08 33.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.703 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 53.98 46.58 25.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.242 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 71' ' ' GLN . 8.6 mt -127.21 -19.44 4.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.358 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.9 t80 -140.76 137.89 33.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.696 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 28.7 t70 -118.56 140.97 49.05 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.67 -5.07 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.224 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.408 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 18.7 m -106.08 -62.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.24 -13.68 59.89 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.61 -156.2 31.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.081 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.37 122.86 12.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.109 2.54 . . . . 0.0 111.886 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.38 88.18 7.26 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 69' ' ' VAL . 97.7 t -50.7 -46.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.731 -1.122 . . . . 0.0 113.152 -171.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.73 -50.23 74.33 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.513 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -60.45 -36.29 77.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.192 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.428 HD23 HD22 ' A' ' 56' ' ' LEU . 16.6 mt -61.19 -38.86 88.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.401 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 65' ' ' VAL . 62.1 t -72.92 -43.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.689 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -59.68 -29.55 68.16 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.977 0.418 . . . . 0.0 111.261 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.467 ' HG2' HD11 ' A' ' 56' ' ' LEU . 46.4 tp60 -88.62 -59.06 2.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.196 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.9 mt -67.94 -46.22 72.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.62 32.52 0.08 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -73.55 97.28 2.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.986 0.422 . . . . 0.0 110.097 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.09 23.67 40.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.281 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -145.84 167.81 22.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 81' ' ' VAL . 24.9 t70 -63.43 113.65 3.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.306 0.574 . . . . 0.0 111.219 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.17 72.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.993 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.89 -43.54 75.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.119 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.67 -43.9 92.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 77' ' ' ASP . 70.4 t -57.07 -50.36 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.359 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.71 -43.21 76.29 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.031 0.443 . . . . 0.0 110.667 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -64.14 -51.39 64.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.177 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -54.46 -41.96 70.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.357 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 89' ' ' VAL . 41.7 t -60.6 -54.94 28.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 176.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.37 -31.42 65.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.808 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -55.42 -28.24 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.563 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.15 13.06 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 85' ' ' VAL . 71.5 t -78.11 99.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 109.526 171.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -113.87 -177.68 3.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.864 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -100.13 163.3 12.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.481 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.7 t30 -75.87 68.86 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.771 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.2 p -77.87 -15.23 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.717 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.92 -11.72 35.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.498 . . . . 0.0 110.545 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.05 24.39 12.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.516 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.406 HD21 ' HB2' ' A' ' 98' ' ' CYS . 13.8 t30 -143.95 122.64 12.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.005 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.49 -24.58 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.817 -175.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 63.3 m -66.02 -44.02 85.92 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.291 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.45 -30.28 53.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.443 . . . . 0.0 109.877 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -66.75 -54.3 24.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 66.0 t80 -67.84 -30.99 70.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.52 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -62.45 -46.52 88.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 110.044 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.98 -46.19 82.94 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.127 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.65 -42.84 90.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.701 0.286 . . . . 0.0 110.913 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.8 -45.28 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.049 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.82 -49.84 74.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.491 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 23.4 t80 -66.93 -43.91 82.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.905 -171.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 1.4 pp0? -67.27 -26.61 66.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.28 -29.09 69.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -117.03 -27.9 6.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.67 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -134.78 60.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 0.0 111.15 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 109' ' ' GLN . 58.4 tp -82.69 -27.23 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -64.39 -35.92 82.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.014 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.7 tp -68.5 -33.95 75.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.1 -42.55 88.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.054 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -64.54 -42.1 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.378 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.81 95.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.467 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -57.26 -48.87 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.338 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.6 pt -90.8 1.86 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.529 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -65.73 123.05 18.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 123.84 4.35 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.506 0.669 . . . . 0.0 111.663 -174.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.812 176.552 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.5 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.35 123.2 44.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 111.025 -178.096 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -99.95 129.57 46.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.719 173.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.88 121.97 46.7 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 179.446 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -78.82 139.61 18.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.412 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -89.14 103.26 15.89 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.628 -177.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 p -77.72 178.15 7.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.32 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.08 -40.89 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 0.0 110.883 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.14 -33.53 74.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -80.24 -38.05 31.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.979 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.88 -37.95 88.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.46 -176.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -64.9 -25.77 68.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 110.683 -178.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -70.38 -55.51 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.987 178.092 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.11 -34.62 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.49 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.728 HH21 ' C1 ' ' A' ' 201' ' ' ACD . 3.0 ttm180 -59.77 -47.51 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.219 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.9 m -68.12 -44.3 76.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 -179.04 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -40.39 86.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.691 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.69 -35.15 65.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.79 177.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.94 -54.12 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 177.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -60.31 -36.43 77.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.446 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 t -78.37 -48.68 15.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.337 -175.023 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.32 9.88 11.96 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.001 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 m120 56.61 38.84 29.89 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.472 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.42 120.36 79.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.428 178.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -59.56 140.74 95.33 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.754 2.303 . . . . 0.0 111.736 177.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.94 -32.05 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.565 -177.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.26 -45.21 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.358 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.67 -36.96 85.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 176.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.4 -43.01 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.389 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.3 mt-10 -62.7 -29.28 70.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 178.269 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.525 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.2 mttm -68.69 -52.28 32.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 175.297 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CE1' HG23 ' A' ' 43' ' ' THR . 12.2 m-85 -57.0 -42.01 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 -177.298 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -65.18 -17.79 64.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 9.4 ptmt -109.22 15.88 22.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.399 0.619 . . . . 0.0 109.835 178.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.9 m95 64.49 43.88 4.31 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.209 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -122.84 114.08 20.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.83 177.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -120.9 92.12 48.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.038 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -59.83 152.97 59.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.76 2.306 . . . . 0.0 112.736 178.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.31 84.39 1.92 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.998 176.444 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.663 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.2 OUTLIER -148.95 136.52 20.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.178 -172.632 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.06 -30.36 70.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.317 -173.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.607 ' HB ' ' OD2' ' A' ' 40' ' ' ASP . 89.2 m -61.91 -53.4 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.366 173.594 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.406 HG23 ' CE1' ' A' ' 32' ' ' PHE . 58.7 m -55.38 -35.83 65.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.267 176.16 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -67.24 -48.72 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.58 -175.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.6 m -66.21 -28.6 68.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.477 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.73 -50.72 71.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 175.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 mm -58.72 -39.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.66 177.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -58.41 -54.57 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.545 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.6 t -58.35 -46.46 86.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.722 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.94 -46.83 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.122 0.486 . . . . 0.0 110.861 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.69 -23.3 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.994 -179.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -79.63 -43.82 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.276 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -70.47 -25.03 62.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.604 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.5 mtp -88.25 5.32 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.448 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 57.19 46.31 19.06 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.182 -178.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 56' ' ' LEU . 9.2 mt -123.19 -14.69 7.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.991 0.424 . . . . 0.0 111.588 -173.817 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -140.71 136.69 32.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.082 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -118.81 138.98 52.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.232 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.17 -20.03 65.73 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.44 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.49 -13.62 60.71 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.44 -146.69 26.3 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.058 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.22 122.08 11.18 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.037 2.491 . . . . 0.0 111.848 176.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 mt -83.07 92.27 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.089 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.1 t -50.71 -44.82 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.753 -174.565 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.33 -54.33 48.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.687 0.279 . . . . 0.0 111.194 -177.115 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -63.6 -33.65 76.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.236 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 65' ' ' VAL . 66.2 t -67.92 -43.34 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.546 176.646 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -58.26 -32.32 68.26 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.491 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.459 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 52.8 tp60 -87.15 -60.07 2.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.236 -178.358 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 74' ' ' HIS . 87.6 mt -65.85 -42.87 89.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.657 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.65 32.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 72' ' ' LEU . 54.2 t-80 -68.94 89.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.888 179.544 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.9 27.98 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.351 -178.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -146.38 164.49 32.27 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.88 -0.188 . . . . 0.0 110.781 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.9 105.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.684 0.615 . . . . 0.0 111.334 -177.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.469 -175.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.06 -37.9 89.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -177.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.72 -46.53 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.004 176.209 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 81.1 t -56.06 -48.22 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.33 178.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.04 -43.93 64.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.139 0.495 . . . . 0.0 110.794 176.462 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -67.95 -53.36 26.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.525 -176.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -56.27 -38.53 71.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.49 179.162 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.9 t -61.01 -50.96 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.014 175.427 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.5 mt -57.57 -31.67 66.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.873 -178.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.29 -17.51 63.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.943 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.0 m -106.31 -8.48 17.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 85' ' ' VAL . 97.0 t -73.93 99.7 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -105.01 170.41 7.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.184 -175.345 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -86.68 151.26 23.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.791 -177.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -84.17 65.51 8.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.497 0.665 . . . . 0.0 110.038 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.7 p -74.42 -30.26 61.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.854 -178.371 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -86.1 -6.21 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 110.743 -177.64 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 58.92 33.61 23.14 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.64 172.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.131 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.19 72.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.118 -172.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.78 -43.16 97.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.39 176.515 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -78.76 -25.59 44.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.692 0.282 . . . . 0.0 110.432 -177.137 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -65.78 -53.08 45.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.972 177.482 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.66 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.245 177.282 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 73.4 t80 -69.28 -31.42 69.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.759 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -69.24 -40.44 77.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.248 -178.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.409 ' O ' H191 ' A' ' 201' ' ' ACD . . . -65.99 -45.96 84.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.752 178.053 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -64.52 -44.79 89.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -66.27 -39.18 89.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.244 -175.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.03 -41.91 98.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -75.65 -48.17 23.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.407 -171.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -67.12 -18.86 65.49 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.712 0.292 . . . . 0.0 111.153 -177.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.64 -33.84 75.85 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 110.594 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -114.93 -29.9 6.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.153 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -133.15 65.05 1.6 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.342 -171.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -83.9 -25.71 29.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 110.2 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.7 m -63.62 -39.18 93.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.597 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 tp -66.1 -35.92 81.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.392 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.04 -41.13 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.24 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.28 -45.91 89.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.954 178.109 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.23 -29.76 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.585 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.459 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 46.8 t -56.1 -43.11 77.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.981 -179.343 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.2 pt -92.4 1.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.923 0.392 . . . . 0.0 111.414 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -90.57 117.32 29.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.663 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.8 tptt 67.58 141.69 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.977 0.894 . . . . 0.0 112.323 178.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.941 175.039 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.728 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.553 0.216 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -84.95 109.25 18.03 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.213 0.53 . . . . 0.0 110.931 -177.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -69.41 111.7 5.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.657 176.63 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.96 118.58 37.2 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.184 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.27 142.94 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -76.28 102.31 5.81 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.052 -177.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.9 p -77.57 179.43 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 177.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -54.74 -41.7 70.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 177.573 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.6 -43.17 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -178.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.73 -41.88 97.99 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.151 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.708 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.7 tp -58.63 -45.89 88.27 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.765 -178.562 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.53 -31.08 71.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.17 0.509 . . . . 0.0 110.719 -176.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -64.44 -49.3 72.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.501 177.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.94 -36.2 82.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.1 -177.16 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 29.8 mtm180 -64.83 -35.3 80.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.463 -179.58 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.2 m -64.91 -44.22 90.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 0.0 110.731 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -45.2 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 177.292 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.02 -34.05 77.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.882 178.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.73 -51.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 179.021 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 t -64.04 -40.26 95.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.444 -179.216 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -71.26 -44.63 64.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.653 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.13 9.9 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 m120 53.54 39.7 30.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.894 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.5 mm -66.43 118.14 50.73 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.6 147.83 94.45 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.173 2.582 . . . . 0.0 112.187 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -26.74 48.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.963 -178.082 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.73 -57.55 11.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.774 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -63.23 -39.95 96.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.609 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.88 -42.0 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.243 0.544 . . . . 0.0 110.693 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -33.43 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.519 178.617 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.9 mttm -65.59 -42.98 91.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.207 175.015 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -68.85 -11.31 60.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.863 -178.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -78.36 -23.09 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.811 174.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 16.1 ptmt -109.49 9.02 25.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.314 -179.201 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.5 m95 57.08 54.07 7.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.73 -175.058 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' HD3' ' A' ' 38' ' ' PRO . 36.0 tt0 -119.68 110.78 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.62 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.18 91.19 22.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.498 -176.394 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 36' ' ' GLU . 26.3 Cg_exo -65.24 151.91 83.85 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.798 2.332 . . . . 0.0 112.591 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -75.46 91.66 2.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.764 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.0 t70 -156.01 142.36 18.44 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.335 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.15 -25.28 65.4 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.426 -175.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.3 m -59.45 -56.62 19.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.486 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.4 m -60.03 -34.74 73.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.158 178.598 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.5 mtt -67.19 -51.59 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.531 -174.9 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.1 m -65.81 -29.1 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.703 0.287 . . . . 0.0 110.603 178.615 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.433 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 29.0 t80 -60.86 -50.82 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 175.683 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.47 -40.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.823 178.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -61.52 -48.59 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.222 -178.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -57.91 -49.52 76.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.373 178.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.96 -47.2 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.367 0.603 . . . . 0.0 111.158 -177.394 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.9 m-30 -67.38 -27.11 66.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.993 -178.11 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -80.06 -39.31 30.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.564 -177.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -71.76 -30.83 66.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.0 mtm -82.24 4.84 21.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 175.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 53.91 48.54 21.02 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.596 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.433 HD22 HD23 ' A' ' 68' ' ' LEU . 6.9 mt -117.85 -17.12 9.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.533 -177.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 74.5 t80 -141.91 141.23 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.768 178.277 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 25.4 t70 -127.9 146.67 50.55 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.356 177.402 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.67 -9.81 59.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.211 -0.306 . . . . 0.0 111.34 -176.264 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.537 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 23.2 m -96.49 -64.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.124 176.798 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.54 -18.66 54.36 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.744 0.307 . . . . 0.0 111.646 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.22 -144.62 20.92 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.988 -175.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.38 123.51 11.58 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.295 1.997 . . . . 0.0 111.616 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -81.63 88.84 6.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.669 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.9 t -49.75 -44.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.517 -174.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.13 -51.44 69.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.756 -177.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.27 -35.37 77.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.516 178.405 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.433 HD23 HD22 ' A' ' 56' ' ' LEU . 19.0 mt -58.78 -49.85 76.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.362 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.72 -37.25 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -61.95 -31.51 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 0.0 110.635 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -89.34 -57.16 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.942 -177.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -64.38 -44.2 92.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.53 -174.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.94 0.12 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.47 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -68.86 99.71 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.35 29.74 55.48 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.172 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -147.07 160.76 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.412 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -65.22 106.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.378 0.609 . . . . 0.0 111.751 -175.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.03 -32.58 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.065 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.21 -47.91 83.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.239 179.308 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.8 mt-10 -67.56 -45.89 74.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.308 178.893 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.68 -48.77 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.51 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -58.17 -42.84 86.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 177.245 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -61.61 -53.92 49.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.081 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.3 mt-10 -60.97 -36.17 78.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.049 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.7 t -61.54 -50.65 79.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.643 0.259 . . . . 0.0 110.867 173.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.96 -31.53 66.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.813 -177.656 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -69.4 -14.45 62.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.141 0.496 . . . . 0.0 110.916 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -108.85 -5.95 16.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 85' ' ' VAL . 93.0 t -82.66 108.44 15.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -106.55 167.07 10.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.322 178.267 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -87.93 157.67 18.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.924 177.396 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 59.2 t30 -78.93 75.03 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.145 0.498 . . . . 0.0 111.27 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 56.2 p -90.33 -18.68 25.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.297 174.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' CG ' HH12 ' A' ' 103' ' ' ARG . 3.9 m-20 -73.89 -31.15 62.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.205 -176.606 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 66.0 21.17 11.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.847 -176.765 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.79 117.47 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 174.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.37 -30.85 70.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.863 -175.548 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.83 -44.04 91.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.569 0.224 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -79.6 -26.79 41.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.028 0.442 . . . . 0.0 110.279 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -68.1 -54.34 18.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.334 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.485 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -63.78 -37.66 88.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.972 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.457 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 76.7 t80 -66.18 -35.23 79.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.265 -176.277 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 103' ' ' ARG . 34.9 ttp180 -71.95 -34.45 69.01 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.221 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.51 70.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.588 176.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.41 ' CZ ' ' H5 ' ' A' ' 201' ' ' ACD . 16.8 t80 -64.39 -47.21 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.808 179.825 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -62.23 -40.29 95.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.017 -177.215 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.44 -45.79 92.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.97 178.313 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -74.07 -46.35 43.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.15 -173.003 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -66.23 -29.87 70.21 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.58 -18.83 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 110.743 -177.088 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -118.45 -31.97 4.76 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.381 -178.576 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.9 m-20 -134.63 57.41 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.69 -173.079 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 67.6 tp -76.34 -33.79 58.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.914 0.387 . . . . 0.0 111.051 -178.115 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -65.34 -31.13 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.079 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.36 -35.67 76.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 176.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 112' ' ' ASN . 58.9 mt -68.38 -43.47 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.6 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.05 -35.89 81.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.981 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.65 73.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.046 176.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -57.06 -44.94 83.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.761 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.17 0.05 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.59 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -80.94 121.61 26.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.163 0.506 . . . . 0.0 111.103 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -155.48 125.37 6.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.658 177.072 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.689 178.606 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.584 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.617 0.246 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -157.23 131.43 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 110.609 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -109.29 124.54 51.09 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.064 176.685 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -100.7 134.26 43.94 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.907 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.92 150.11 6.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.153 177.75 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 p -69.75 93.68 0.75 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.396 177.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -76.19 -172.83 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.297 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 m -50.24 -55.02 17.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.115 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -43.2 94.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.349 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -62.28 -42.1 99.06 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.693 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.8 tp -60.91 -48.14 83.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -59.76 -34.28 72.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.359 0.599 . . . . 0.0 110.412 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.2 ttp-105 -67.32 -40.78 85.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.725 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.28 -36.56 74.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.693 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 42.7 mtm180 -64.27 -29.36 70.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.063 -178.713 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.0 m -60.63 -50.52 73.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.089 0.471 . . . . 0.0 110.906 177.21 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.67 -40.22 84.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.576 -176.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.34 -34.15 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.577 0.227 . . . . 0.0 111.181 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.86 -52.25 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 110.704 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -66.09 -29.49 69.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.609 -177.301 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 m -83.41 -45.7 13.38 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -176.827 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -84.98 11.35 9.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.63 0.252 . . . . 0.0 111.678 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 54.79 38.37 30.09 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.422 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.0 mm -70.71 123.17 88.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.185 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -62.46 144.04 94.19 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.751 2.301 . . . . 0.0 111.881 178.428 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.41 -34.27 61.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.719 177.885 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.71 -54.45 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.449 174.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -60.83 -37.63 82.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.654 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.6 -43.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.579 -178.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.1 mt-10 -66.05 -31.1 71.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.524 179.093 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -65.31 -48.94 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.731 177.449 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -57.92 -32.45 67.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -178.512 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.79 -36.49 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.448 . . . . 0.0 110.181 176.057 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -92.79 17.9 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.248 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.9 m95 51.46 43.39 29.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.055 -174.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -106.05 112.95 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.93 175.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -116.24 91.7 33.48 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.899 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 146.09 85.14 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.932 2.421 . . . . 0.0 113.079 177.496 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.45 81.35 8.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.971 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 44' ' ' MET . 3.4 p30 -157.02 161.9 39.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.851 176.323 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.54 -22.83 67.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.025 -0.988 . . . . 0.0 112.502 -167.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.2 m -63.23 -59.59 4.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 178.003 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.457 ' O ' HG12 ' A' ' 47' ' ' ILE . 40.7 m -57.01 -34.65 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.013 177.779 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.1 mtt -66.89 -52.53 42.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.055 -174.711 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.56 -29.35 69.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.196 0.522 . . . . 0.0 110.148 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.546 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 25.2 t80 -61.03 -44.35 97.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.702 175.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 43' ' ' THR . 29.8 mm -61.23 -41.91 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.77 -178.455 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 2.1 ptmt -69.63 -40.61 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.065 -177.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.1 t -56.27 -46.76 79.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.749 177.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.08 -44.11 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 110.689 179.059 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.557 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -68.17 -20.27 64.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.211 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -78.52 -43.4 26.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.611 175.369 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -65.91 -29.92 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.06 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.454 ' SD ' HD13 ' A' ' 11' ' ' LEU . 97.0 mtp -89.91 -4.58 57.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.365 -178.46 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 59.38 57.39 3.38 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.188 -177.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 6.5 mt -129.36 -21.05 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.838 -174.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.557 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.4 t80 -135.3 137.52 42.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 30.3 t70 -113.82 138.71 49.91 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.71 -19.61 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.12 0.486 . . . . 0.0 110.333 -173.208 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.467 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 53.3 m -91.28 -64.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.82 179.031 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -79.64 -13.15 59.7 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 -151.24 23.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.462 -179.168 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.35 123.54 14.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 123.239 2.626 . . . . 0.0 111.902 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -85.63 92.45 8.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.222 0.534 . . . . 0.0 110.084 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 82.2 t -49.25 -44.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.96 -174.769 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.81 -51.56 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.672 0.273 . . . . 0.0 111.307 -176.11 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.47 -35.04 79.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 178.271 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 18.8 mt -61.16 -45.26 95.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.46 -179.474 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 99.5 t -68.77 -38.77 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 178.092 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -65.23 -28.58 69.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 74' ' ' HIS . 50.7 tp60 -87.1 -60.09 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.764 -179.496 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 97.6 mt -65.49 -50.55 64.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.995 -176.407 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -79.0 26.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.519 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 71' ' ' GLN . 3.8 t60 -75.87 89.38 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.43 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.93 28.63 6.83 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.815 -174.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -157.21 169.04 25.67 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.002 0.521 . . . . 0.0 109.882 178.019 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.45 121.59 14.75 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.662 0.744 . . . . 0.0 111.109 -178.805 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.39 -37.83 86.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.383 -175.43 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -43.52 79.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.461 -174.537 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.24 -50.9 72.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 175.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.55 -47.36 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.285 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -54.52 -44.49 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 177.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 m -61.34 -53.36 57.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.295 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.76 -36.02 81.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.781 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.8 t -59.96 -49.98 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 174.024 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.02 -31.18 66.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.798 -178.076 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -75.01 -11.15 60.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.395 0.617 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.04 -8.14 17.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.301 177.342 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 85' ' ' VAL . 97.7 t -80.0 100.29 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.661 175.192 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.46 170.67 7.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.864 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -86.03 150.55 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.102 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -76.32 64.59 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.594 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -76.43 -18.56 58.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.142 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -73.89 -21.01 60.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.157 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 64.08 19.54 11.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.463 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -135.62 117.6 15.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.51 75.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.333 -173.144 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.6 m -63.75 -40.32 96.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.634 178.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' A' ' 103' ' ' ARG . 49.5 t-80 -77.46 -24.89 50.18 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.289 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -67.92 -51.73 44.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.897 0.38 . . . . 0.0 110.542 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.59 90.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.29 177.627 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.7 -27.54 65.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.484 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 72.1 ttt180 -69.82 -46.12 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.95 -178.125 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.58 -46.34 90.39 Favored Glycine 0 C--N 1.33 0.242 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.942 178.487 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.64 -45.71 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.028 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.38 -32.67 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.313 -175.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 110' ' ' LYS . 13.4 t -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.035 0.445 . . . . 0.0 111.424 178.421 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.411 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 34.7 t80 -72.16 -44.01 63.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -173.119 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.42 -23.28 67.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.805 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 107' ' ' CYS . 23.5 tptm -61.88 -28.96 69.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -120.22 -28.68 5.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -175.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -136.15 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -172.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.63 -29.13 45.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.107 0.479 . . . . 0.0 110.67 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 p -61.57 -39.59 91.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.6 tp -67.03 -34.22 77.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.95 -41.25 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.094 178.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.39 -39.77 74.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.088 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.92 -36.95 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.218 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.3 p -61.39 -38.55 87.45 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.3 pt -87.99 -10.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.279 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -91.46 123.23 34.72 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -146.28 109.34 4.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.986 0.422 . . . . 0.0 110.183 179.013 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.191 178.321 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.49 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.446 0.165 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 65.9 65.61 0.52 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.277 0.561 . . . . 0.0 111.139 178.535 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -72.17 107.21 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 173.27 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.15 121.22 40.73 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.628 -176.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.522 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 1.2 m -81.51 146.14 7.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.483 178.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 m -67.04 101.04 0.81 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.42 178.42 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -78.33 -174.16 3.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -58.54 -39.59 80.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.741 0.305 . . . . 0.0 111.07 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.56 -45.67 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.413 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -63.47 -39.37 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 110.168 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -63.03 -36.16 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.026 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.27 -21.98 63.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.033 0.444 . . . . 0.0 110.578 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 20.0 tpp180 -76.48 -53.56 7.94 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.27 -41.3 98.34 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.181 -178.179 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.547 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.6 OUTLIER -64.66 -33.23 75.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.84 -176.373 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -62.16 -51.88 66.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.823 176.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 7.4 mt-10 -65.67 -39.98 91.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.867 -176.172 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.16 -34.51 78.24 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 120.673 0.273 . . . . 0.0 110.75 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.23 -51.55 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 t -66.64 -31.98 73.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.693 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.8 m -76.83 -48.73 17.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.035 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.4 mt -83.83 10.78 8.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.423 -176.278 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 54.04 34.94 20.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.526 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.05 117.98 41.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.489 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.65 144.19 97.87 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.119 2.546 . . . . 0.0 112.188 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.24 -36.13 63.21 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.947 -176.675 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.46 -48.61 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.431 0.457 . . . . 0.0 111.128 177.781 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -62.76 -39.05 92.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.61 -45.75 82.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.281 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.7 mt-10 -61.71 -41.12 97.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.57 -26.78 61.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.61 -176.279 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.444 ' CE2' HG23 ' A' ' 43' ' ' THR . 20.2 m-85 -79.09 -19.79 50.35 Favored 'General case' 0 C--O 1.226 -0.173 0 O-C-N 122.131 -0.355 . . . . 0.0 110.358 176.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -79.17 -11.85 59.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.446 0.641 . . . . 0.0 109.609 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -105.29 19.73 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.339 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.5 m95 50.33 47.88 23.16 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.085 -177.206 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -120.33 115.16 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.312 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.96 82.55 55.8 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 -176.698 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.87 155.55 63.31 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.117 2.545 . . . . 0.0 112.671 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.51 89.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.914 177.253 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.624 ' O ' ' HG3' ' A' ' 44' ' ' MET . 13.4 t70 -150.31 142.64 24.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.392 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.8 -26.29 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.667 -173.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -68.94 -47.8 64.8 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.467 0.651 . . . . 0.0 109.62 178.206 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.444 HG23 ' CE2' ' A' ' 32' ' ' PHE . 18.7 m -61.88 -36.35 81.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.927 178.1 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -66.82 -50.45 62.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.762 -174.488 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.27 -30.48 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.7 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.16 -49.84 76.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.472 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -61.07 -37.14 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.836 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.488 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.41 -55.16 36.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.135 179.687 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 t -54.61 -46.88 73.91 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.507 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.1 -48.58 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.171 0.51 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.73 -24.44 66.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.096 -177.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -79.34 -40.99 28.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.281 -179.212 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -75.85 -20.27 58.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.29 -178.749 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.5 mtp -88.17 5.81 39.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.533 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 56.71 42.47 26.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.117 -178.303 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD22 HD23 ' A' ' 68' ' ' LEU . 9.4 mt -119.99 -16.71 8.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.21 -173.637 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -144.44 137.77 27.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.946 179.108 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -127.37 146.19 50.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.559 -179.186 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.89 -24.98 66.17 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.884 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.1 m -94.36 -65.12 1.01 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.444 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.89 -15.29 61.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.034 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.67 -150.31 31.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.992 -177.481 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.82 119.85 7.37 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 0.0 111.32 176.078 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.64 88.58 5.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.117 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 69' ' ' VAL . 75.8 t -49.05 -44.82 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.445 -174.503 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.63 -54.03 51.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.76 0.314 . . . . 0.0 111.411 -177.452 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -65.86 -31.63 72.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 179.111 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.458 HD23 HD22 ' A' ' 56' ' ' LEU . 17.9 mt -63.44 -40.13 96.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.223 179.54 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 65' ' ' VAL . 88.9 t -72.05 -43.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 177.249 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -64.33 -22.53 66.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 0.0 111.056 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.571 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 53.9 tp60 -90.19 -60.92 1.8 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.124 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' C ' ' H ' ' A' ' 74' ' ' HIS . 91.8 mt -67.19 -41.88 85.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.595 -174.211 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -71.83 35.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.9 t-160 -64.03 82.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.355 0.662 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.41 35.83 9.21 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.197 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -148.88 169.68 19.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.565 0.182 . . . . 0.0 110.852 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 81' ' ' VAL . 35.3 m-20 -59.89 102.58 0.16 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.552 0.533 . . . . 0.0 111.168 178.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.58 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.701 -178.704 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.59 -40.32 91.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.386 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.93 -43.67 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 109.889 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 77' ' ' ASP . 78.8 t -57.43 -46.31 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.455 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -53.21 -42.63 66.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 177.27 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.7 m -63.52 -54.32 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.51 -177.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -59.71 -36.75 77.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.78 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.4 t -60.67 -50.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.689 0.28 . . . . 0.0 111.086 174.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.35 -31.23 65.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -178.033 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.54 -13.52 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.336 0.588 . . . . 0.0 110.753 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -107.55 -4.15 18.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.281 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 85' ' ' VAL . 87.2 t -84.02 111.58 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.757 174.569 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.2 175.26 7.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.89 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -85.19 153.1 22.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.438 -178.157 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -77.68 69.3 3.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.43 -179.718 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -79.13 -19.48 51.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -77.68 -19.4 55.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.138 0.494 . . . . 0.0 110.334 178.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.09 25.39 14.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.621 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -140.19 122.65 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.888 -178.724 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.04 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.599 -172.292 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 70.2 m -62.4 -41.19 98.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.467 178.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -77.68 -29.46 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -177.439 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -66.12 -51.4 58.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.456 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.24 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.512 . . . . 0.0 110.583 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.417 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.6 t80 -67.95 -30.75 70.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 -178.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -64.35 -49.31 72.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.106 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.08 98.28 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.988 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.17 -46.55 80.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.755 0.312 . . . . 0.0 111.03 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.45 -41.51 88.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -176.134 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.57 -44.35 89.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.213 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 26.2 t80 -75.88 -46.5 29.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.143 -173.483 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.82 -24.41 67.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.57 -31.44 70.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.806 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -115.0 -30.4 6.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.343 -177.118 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -135.15 61.33 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -171.522 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -76.69 -29.61 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.248 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.6 t -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.774 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.9 tp -69.3 -31.42 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.218 -178.657 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.02 -42.38 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.015 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.8 -42.66 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.8 177.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.02 -29.25 65.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.355 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.571 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 47.5 t -56.72 -44.12 81.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.934 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.4 pt -94.97 -3.89 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.941 0.4 . . . . 0.0 111.409 -177.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -91.22 130.65 37.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.377 -177.706 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt 70.61 169.26 0.31 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.68 0.753 . . . . 0.0 111.866 176.397 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.921 175.219 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.547 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.933 0.396 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -122.88 100.03 6.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.193 0.521 . . . . 0.0 110.703 179.09 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -109.54 121.73 45.84 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.663 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.77 130.27 46.78 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.565 175.19 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.68 138.13 19.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.58 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m -80.74 101.53 9.37 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.386 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.7 p -80.21 179.57 7.59 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.458 177.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -52.91 -44.4 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 177.517 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.63 -42.79 97.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.107 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.07 -38.47 85.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.166 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.5 -30.25 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.61 -30.39 71.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.717 177.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 98.8 mtt180 -69.59 -58.39 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.045 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -59.19 -31.39 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.232 -176.149 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 39.1 mtt180 -54.47 -53.13 58.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.343 178.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -66.34 -42.07 88.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.507 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.9 mt-10 -60.61 -33.39 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.461 -178.651 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.8 m -83.68 -37.23 23.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.261 178.209 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -53.52 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -64.91 -23.21 67.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.757 -179.146 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.8 t -86.47 -47.3 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.289 . . . . 0.0 110.984 -177.23 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.59 12.3 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.499 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 55.19 37.25 28.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.487 -179.135 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.44 117.59 56.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.013 179.114 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -61.93 141.11 88.39 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.396 2.064 . . . . 0.0 111.47 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.17 -30.2 48.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.798 178.862 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -48.58 -49.74 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.296 175.329 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.7 m-85 -67.21 -38.87 86.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.61 177.39 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.66 -42.45 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.4 mt-10 -61.61 -35.78 78.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.153 0.502 . . . . 0.0 110.283 177.561 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 92.5 mttt -67.53 -47.06 71.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.751 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 14.1 m-85 -58.83 -36.13 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.431 . . . . 0.0 110.917 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -59.61 -40.68 88.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.909 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 50.7 pttt -92.77 23.04 4.35 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.8 m95 53.81 48.42 21.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.49 178.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.78 109.53 13.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -114.89 98.01 48.98 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.402 -176.511 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.84 142.25 92.81 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.483 2.122 . . . . 0.0 112.304 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.04 83.35 3.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.785 0.802 . . . . 0.0 109.817 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.7 t70 -149.11 148.17 29.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.155 -176.282 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.66 -22.17 65.07 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.893 -172.269 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.7 m -65.01 -55.64 17.77 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.399 0.619 . . . . 0.0 110.13 176.16 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.449 HG23 ' CE1' ' A' ' 32' ' ' PHE . 22.7 m -59.48 -33.55 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.148 178.719 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.42 -50.88 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.759 -173.712 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.88 -28.59 68.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.414 178.438 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.516 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 t80 -60.15 -50.51 73.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 110.181 174.806 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mm -60.26 -39.65 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.453 178.266 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -60.35 -54.75 41.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.429 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.8 t -55.98 -47.97 76.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.637 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -43.52 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.016 0.436 . . . . 0.0 110.943 -179.225 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.5 m-30 -65.7 -24.54 67.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -77.93 -43.61 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 177.486 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -69.2 -27.06 65.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.288 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 91.1 mtp -87.53 0.32 55.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.074 0.464 . . . . 0.0 110.75 177.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 55.02 46.94 23.2 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.514 -178.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.4 mt -117.64 -14.05 10.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.044 -175.151 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 88.0 t80 -138.94 143.32 38.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.313 179.246 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 27.5 t70 -127.78 139.82 52.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.99 177.664 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.75 -26.85 66.02 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.033 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.43 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 43.8 m -93.58 -65.68 0.97 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.673 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.66 -146.09 22.2 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.732 -174.684 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 123.74 14.39 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.96 2.44 . . . . 0.0 112.017 177.012 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.46 93.27 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.951 -179.654 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 73.8 t -51.67 -45.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.519 -174.074 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.0 -56.78 17.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.613 0.244 . . . . 0.0 111.159 -177.54 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.14 -33.65 73.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 0.0 110.624 179.008 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.95 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.377 179.33 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 65' ' ' VAL . 60.2 t -70.03 -42.67 79.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.651 177.558 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -58.33 -33.16 69.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.859 0.361 . . . . 0.0 111.211 178.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -85.57 -60.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -178.023 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 91.7 mt -64.15 -42.17 96.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.615 -173.325 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.72 35.18 0.09 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.43 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' A' ' 72' ' ' LEU . 60.5 t-80 -61.66 88.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.16 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.03 33.55 32.66 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.577 179.116 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -145.56 169.52 18.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.416 0.15 . . . . 0.0 110.937 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.19 105.66 0.3 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.997 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.23 73.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.333 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.8 -46.4 82.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.57 -48.09 82.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.205 0.526 . . . . 0.0 110.047 177.062 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.4 -48.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.344 179.179 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -55.06 -45.23 75.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.485 177.283 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -63.54 -47.02 83.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.787 -177.682 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.49 -42.87 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.395 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 89' ' ' VAL . 36.4 t -58.07 -52.35 59.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.239 176.669 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.0 mt -58.45 -29.69 66.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.59 -20.16 63.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.55 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.3 m -104.65 -13.56 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.925 -179.085 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.6 t -69.86 124.25 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.541 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -141.53 168.24 20.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.662 -176.522 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -88.55 152.45 21.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.821 -175.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -81.43 67.08 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.503 0.668 . . . . 0.0 110.549 -177.463 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.3 p -78.11 -26.87 48.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.031 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD1' ' A' ' 99' ' ' HIS . 8.3 p-10 -80.91 -13.23 59.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 -178.152 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.1 t30 66.09 40.16 4.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.634 169.32 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 171.448 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.108 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.2 m -61.92 -38.4 88.26 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.589 -0.444 . . . . 0.0 109.807 174.145 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.412 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 26.9 t-80 -83.24 -24.71 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.329 -177.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -63.91 -53.8 44.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.745 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.63 87.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 177.29 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -68.09 -33.65 74.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.93 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -73.23 -37.05 66.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.21 -177.39 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.09 94.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.334 175.235 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -64.97 -49.16 71.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.545 -0.328 . . . . 0.0 110.933 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.105 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.53 -44.37 96.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.289 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -74.87 -48.37 25.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.935 -173.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -19.17 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.482 -178.69 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.18 -30.51 70.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.485 . . . . 0.0 110.447 178.106 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.97 -34.61 5.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.286 -175.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -134.83 68.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.708 -171.167 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.29 -33.45 20.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 111.448 -177.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 m -66.15 -31.3 72.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -178.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.89 -35.8 81.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.264 0.554 . . . . 0.0 109.786 174.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.61 -42.04 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.129 179.526 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.81 -40.11 94.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.718 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.92 -33.66 66.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.141 -178.073 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.448 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 88.9 p -62.08 -38.2 87.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.578 -177.137 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.6 pt -92.05 1.16 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 111.199 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -89.96 123.68 34.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.72 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -74.11 142.1 45.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.703 178.418 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.249 1.06 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.798 -178.557 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.518 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 121.311 0.577 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.45 135.37 38.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.206 -176.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.3 113.71 6.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.42 0.628 . . . . 0.0 110.944 -178.372 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 p -98.39 119.14 36.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.675 177.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.664 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -86.38 150.94 3.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.602 -178.165 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p -70.82 90.29 0.79 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.589 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.3 p -67.01 176.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.848 -174.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 4.6 m -55.23 -41.77 72.53 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 176.147 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.186 178.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.43 -40.01 96.03 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.996 0.426 . . . . 0.0 110.001 176.719 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 67.1 tp -62.93 -35.04 78.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.558 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 98.3 mt-30 -67.01 -19.26 65.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.571 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -75.29 -42.99 53.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.513 178.019 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.84 -21.33 57.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG3' ' HA ' ' A' ' 12' ' ' GLN . 13.1 mmm180 -50.27 -65.87 0.49 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.787 172.668 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -53.95 -48.68 70.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.212 -178.033 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -54.15 39.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.036 0.446 . . . . 0.0 110.887 -178.048 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.13 -32.33 66.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -177.589 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -66.78 -53.48 34.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.682 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -63.84 -38.96 93.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.361 -177.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.4 m -75.47 -44.68 42.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -176.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.33 8.11 19.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -177.28 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 56.14 33.99 23.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.511 178.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -62.48 122.51 74.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -59.74 139.88 90.72 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.605 2.204 . . . . 0.0 111.545 177.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -33.46 62.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.731 -177.188 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.17 -52.21 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 176.424 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -58.3 -38.88 77.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 177.149 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.72 -48.02 84.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.4 mt-10 -62.78 -36.86 84.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.387 0.613 . . . . 0.0 110.019 178.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.11 -37.66 69.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.377 -176.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.06 -31.95 73.13 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.228 0.537 . . . . 0.0 110.022 175.766 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.115 178.287 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -89.39 21.43 3.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.075 178.731 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.7 m95 51.64 41.91 29.24 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.242 -176.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 61.4 mt-10 -104.41 109.83 21.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.647 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -119.34 85.4 31.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.433 -179.088 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -63.1 155.02 63.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.906 2.404 . . . . 0.0 112.209 175.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.84 81.58 5.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.945 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.5 t70 -145.8 143.56 29.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.224 -177.316 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.03 -30.49 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.669 -174.297 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.0 m -60.51 -56.34 22.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.169 0.509 . . . . 0.0 110.359 177.13 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -56.08 -36.9 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.044 176.028 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -67.29 -47.45 70.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.417 -176.086 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.75 -31.98 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.85 -50.15 74.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.223 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.02 -40.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 14.4 tmtt? -60.2 -52.67 64.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.473 -179.154 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.74 -48.14 82.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.685 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.3 -47.94 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.867 0.365 . . . . 0.0 111.407 -177.661 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -63.09 -28.96 70.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 110.668 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.59 -42.87 61.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.498 177.651 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -72.1 -23.6 61.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.243 -176.649 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -89.0 5.16 45.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.306 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.53 41.18 26.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.435 -178.511 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD22 HD23 ' A' ' 68' ' ' LEU . 7.4 mt -119.13 -17.1 9.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 -174.657 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.0 t80 -139.73 137.64 35.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.953 179.194 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.0 t70 -121.81 142.58 50.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.112 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.79 -12.45 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.789 0.328 . . . . 0.0 111.188 -173.153 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.432 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 19.0 m -98.55 -62.12 1.28 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.008 177.45 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.66 -27.0 61.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.515 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 -152.56 20.8 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.849 -174.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.09 124.51 16.38 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.952 2.435 . . . . 0.0 111.624 176.143 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -82.99 85.49 7.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.5 t -49.38 -42.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.307 -174.662 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.01 -54.45 46.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.297 -177.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.4 -34.34 77.96 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 177.675 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 HD22 ' A' ' 56' ' ' LEU . 17.7 mt -60.46 -45.3 94.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.45 -179.477 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.7 t -68.66 -42.21 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 110.605 177.616 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -60.93 -28.42 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.29 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.664 ' OE1' ' HB ' ' A' ' 5' ' ' VAL . 5.9 tp60 -90.26 -58.5 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.408 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.663 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 98.7 mt -64.85 -36.18 83.51 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -174.238 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -77.74 33.91 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.813 178.031 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.83 79.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.986 178.856 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.55 27.27 8.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.244 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' HD2' HD13 ' A' ' 115' ' ' LEU . 25.8 mtt180 -145.87 163.59 34.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.5 . . . . 0.0 111.58 -179.407 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.13 110.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.732 177.167 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.73 74.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.123 -176.332 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.32 -45.89 91.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.337 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -61.26 -46.75 89.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.086 0.469 . . . . 0.0 110.369 176.398 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -59.24 -50.02 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.709 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -56.7 -44.2 81.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.714 0.292 . . . . 0.0 110.676 179.015 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -63.3 -51.77 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.63 -37.86 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.488 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' VAL . 30.9 t -61.61 -50.89 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.711 174.217 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.63 -32.67 69.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.756 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -17.26 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 110.759 177.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.38 -14.58 16.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.374 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 85' ' ' VAL . 65.1 t -79.09 120.44 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.541 174.896 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -145.77 -179.35 6.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.081 178.551 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -77.04 157.63 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.259 0.552 . . . . 0.0 111.338 -174.085 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -79.23 72.0 5.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.509 179.074 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.6 p -78.1 -19.3 54.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.482 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.11 -17.08 57.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 61.23 20.99 11.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.724 -179.832 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -141.25 127.26 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.38 -34.75 78.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.276 -173.562 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 64.3 m -62.85 -39.47 94.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 109.988 176.404 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -75.41 -32.2 60.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.049 -178.685 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -69.98 -52.07 27.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.662 -176.135 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.404 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -62.89 -36.25 82.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.323 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.45 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 68.4 t80 -70.46 -27.85 64.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.588 -179.316 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -68.56 -42.12 78.79 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.76 -42.63 93.01 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.55 178.173 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.553 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 20.6 t80 -65.04 -46.35 81.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.6 -179.249 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -55.35 -54.38 44.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.54 -41.37 80.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.785 -176.017 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.55 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.7 t80 -76.93 -47.0 22.23 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.624 -173.21 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 105' ' ' PHE . 6.1 pt20 -66.28 -21.85 66.29 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.969 0.414 . . . . 0.0 110.767 -177.838 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 110' ' ' LYS . 1.5 tmtp? -63.71 -30.6 71.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.004 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -110.55 -30.61 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.5 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.506 ' O ' HG13 ' A' ' 116' ' ' ILE . 89.0 m-20 -137.0 66.12 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.209 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.2 tp -82.9 -36.8 25.01 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.925 178.611 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.0 m -63.72 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.778 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.401 HD13 ' HD2' ' A' ' 76' ' ' ARG . 58.9 tp -66.53 -37.32 84.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.377 177.017 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 112' ' ' ASN . 65.4 mt -62.16 -42.89 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.008 179.155 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.92 -32.03 73.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.829 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.83 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.646 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.663 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 19.5 m -61.98 -40.38 95.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.234 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.4 pt -90.84 4.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.282 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -79.56 134.82 36.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.045 0.45 . . . . 0.0 110.853 -178.019 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.605 ' HD3' ' H ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -100.08 96.14 7.31 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.655 177.751 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 . . . . . 0 C--O 1.245 0.848 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.067 178.041 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.414 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.559 0.218 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -101.22 121.34 41.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 0.0 110.431 177.524 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -74.08 112.38 10.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.46 -178.255 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.19 131.22 44.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.416 0.626 . . . . 0.0 110.832 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.14 159.29 8.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.632 176.69 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 p -93.54 95.68 9.39 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 -178.539 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.2 p -76.82 -179.88 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 m -58.64 -38.92 79.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.008 0.433 . . . . 0.0 110.586 177.798 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.73 -46.35 90.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.752 177.863 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.63 -40.94 98.57 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.975 0.417 . . . . 0.0 110.081 177.065 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.5 tp -59.15 -42.37 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.416 -176.642 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -60.11 -34.22 73.19 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.187 0.518 . . . . 0.0 110.892 -178.178 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.5 ttp-105 -65.04 -44.25 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.647 178.491 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -73.1 -34.93 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.816 -174.6 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 8.5 mtm180 -63.8 -39.44 94.24 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.441 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -59.24 -50.5 73.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.279 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.8 mm-40 -64.28 -44.14 92.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.52 -52.11 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.914 0.388 . . . . 0.0 110.613 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 p -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.563 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.7 t -72.43 -45.96 57.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.695 0.283 . . . . 0.0 110.94 -177.529 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.71 6.85 29.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.382 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 m120 54.51 35.57 23.7 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.793 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.2 mm -63.79 123.15 80.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.297 178.487 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -62.84 137.4 62.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.514 2.142 . . . . 0.0 111.437 177.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.6 -32.62 59.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.949 -172.784 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.09 -44.84 91.96 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.002 0.189 . . . . 0.0 111.261 -178.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.6 m-85 -60.12 -42.54 95.0 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-O 120.792 0.33 . . . . 0.0 110.726 174.509 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.74 -46.74 86.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.747 -175.085 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.7 mt-10 -63.35 -37.51 87.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.201 178.467 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -74.44 -23.88 58.99 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.931 -174.27 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 23.3 m-85 -69.28 -32.54 71.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 177.318 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -70.38 -19.15 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.716 -178.275 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -86.37 9.73 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.169 175.284 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.451 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 99.5 m95 60.68 45.16 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.989 -178.733 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.66 109.89 13.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.196 176.682 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -114.27 96.04 41.21 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.575 -176.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.05 146.05 98.2 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.742 2.295 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.46 81.01 5.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.614 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -146.62 146.51 30.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.34 -175.353 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -48.28 -42.91 32.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.432 0.458 . . . . 0.0 111.925 -176.244 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.5 m -52.52 -58.32 7.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.376 -178.796 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.408 HG23 ' CE2' ' A' ' 32' ' ' PHE . 21.7 m -59.84 -33.15 71.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.337 179.51 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.84 -52.95 30.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.961 -173.86 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.2 m -63.96 -30.6 71.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.292 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -61.46 -50.36 73.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.4 mm -59.14 -40.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.948 178.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -49.11 74.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 t -58.29 -47.53 83.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.504 177.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.9 -48.91 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 121.058 0.456 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-30 -63.89 -26.39 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.787 -178.415 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -76.71 -40.05 49.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.307 -179.623 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -75.51 -19.39 59.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.246 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.0 7.72 36.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.487 178.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 55.48 40.85 31.29 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.182 -178.405 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.439 HD22 HD23 ' A' ' 68' ' ' LEU . 6.8 mt -120.61 -20.96 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.477 0.656 . . . . 0.0 110.966 -174.883 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 62.8 t80 -140.02 133.98 30.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.078 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.24 133.31 46.0 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 177.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.79 -21.09 60.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.775 -173.504 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -110.36 -53.67 2.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.92 -0.45 54.24 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.69 -155.87 35.97 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.836 172.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -61.21 129.29 27.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.048 2.499 . . . . 0.0 111.798 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.5 mt -94.22 92.08 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.356 0.598 . . . . 0.0 109.431 178.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 69' ' ' VAL . 84.0 t -50.62 -44.31 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.768 -172.355 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.98 -54.49 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -177.388 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.06 -35.36 78.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.607 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.439 HD23 HD22 ' A' ' 56' ' ' LEU . 17.4 mt -60.56 -43.8 96.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.537 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 65' ' ' VAL . 60.7 t -69.63 -40.33 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.841 178.566 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -60.71 -31.04 70.34 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.225 178.59 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -88.21 -54.86 3.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 -177.708 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.633 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 96.2 mt -69.03 -48.23 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.102 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.69 33.4 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.633 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -73.46 104.91 4.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.057 -0.402 . . . . 0.0 110.212 175.39 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.48 17.64 54.49 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.542 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HD2' HD13 ' A' ' 115' ' ' LEU . 25.9 mtt180 -145.98 165.37 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.724 0.297 . . . . 0.0 111.459 -178.276 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.76 109.46 1.43 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.501 179.144 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.31 -34.13 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.309 178.346 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.27 -48.85 79.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.236 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 7.2 mm-40 -69.29 -44.86 70.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.6 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.84 -48.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.224 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -57.86 -42.14 83.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.88 0.372 . . . . 0.0 110.589 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -61.77 -53.8 51.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 36.8 mt-10 -58.84 -41.02 85.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.414 178.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.8 t -57.9 -49.49 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 175.286 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.14 -29.76 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.905 -178.338 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.04 -16.9 62.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 110.447 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.5 m -103.9 -14.54 15.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.441 -179.494 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.4 t -74.61 128.97 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.775 174.628 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.99 163.47 29.15 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.95 -178.574 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -78.29 157.22 29.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.197 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -81.55 59.19 4.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.469 0.652 . . . . 0.0 110.529 -178.434 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.0 p -77.69 -14.86 59.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.067 175.864 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 20.6 t70 -77.65 -21.68 51.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.045 178.574 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 61.0 26.49 16.45 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.759 177.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.426 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 19.3 t-20 -146.67 122.49 10.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.142 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.222 -174.436 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 65.0 m -64.11 -47.87 78.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.663 0.268 . . . . 0.0 110.917 -178.543 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.564 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 8.1 t-160 -78.75 -25.92 44.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -176.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -64.5 -56.56 13.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 178.628 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . . . -61.72 -37.11 83.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.161 0.505 . . . . 0.0 110.464 179.269 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.446 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 69.9 t80 -67.45 -32.44 73.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.961 -178.712 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 51.9 mtm180 -67.22 -41.14 86.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 179.076 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' O ' H191 ' A' ' 201' ' ' ACD . . . -64.99 -47.05 86.89 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.554 178.659 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.82 -46.71 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.455 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -59.14 -47.08 86.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.109 -177.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.6 t -58.97 -43.07 91.3 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.041 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.7 t80 -74.53 -49.83 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.886 -174.613 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -16.94 64.36 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.685 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -69.36 -30.19 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.857 0.361 . . . . 0.0 110.176 177.705 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -115.05 -28.65 6.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.601 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -135.75 68.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.193 -172.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.3 tp -88.89 -33.56 17.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.504 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -64.34 -33.74 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.996 0.427 . . . . 0.0 110.102 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 76' ' ' ARG . 56.3 tp -63.91 -40.01 95.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.029 176.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -42.97 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.788 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 96.5 mttt -62.01 -40.86 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 178.33 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.37 -29.32 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.834 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.633 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 49.2 m -60.06 -39.18 85.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.818 -178.411 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.8 pt -91.9 -5.43 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -90.55 122.18 33.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.415 -177.542 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 122' ' ' LYS . 7.6 tptp -114.87 78.81 1.19 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.407 0.622 . . . . 0.0 110.248 177.681 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.945 -179.237 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.484 ' H31' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 63.55 84.34 0.15 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.556 0.535 . . . . 0.0 110.515 -177.271 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.85 121.15 15.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.581 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.4 133.27 52.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.393 177.604 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.414 ' HB ' HE22 ' A' ' 71' ' ' GLN . 0.9 OUTLIER -90.67 145.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.451 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -67.07 121.93 16.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.97 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.5 p -110.26 176.65 4.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.615 -176.191 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 35.6 m -58.36 -57.69 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -176.791 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.95 -38.83 87.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.012 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -36.45 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.039 0.447 . . . . 0.0 110.145 179.488 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.68 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 52.8 tp -59.19 -39.19 81.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.515 172.886 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 8' ' ' THR . 16.0 mm100 -55.09 -32.61 62.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.183 0.516 . . . . 0.0 111.47 -178.099 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.0 ttt180 -68.5 -46.41 69.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.468 -178.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 36.1 m-85 -67.02 -38.36 85.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.996 -177.552 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.2 mtp180 -58.29 -45.68 87.48 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.908 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -59.05 -51.4 70.22 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.873 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.2 mm-40 -58.59 -41.12 85.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' SG ' HG12 ' A' ' 50' ' ' VAL . 95.2 m -70.4 -30.09 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.331 . . . . 0.0 110.984 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.07 -51.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.283 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 t -66.69 -36.0 81.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.281 -179.294 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 t -72.46 -49.68 31.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.712 0.292 . . . . 0.0 111.335 -176.476 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -87.54 6.49 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.385 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 55.66 39.87 30.91 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.199 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.5 mm -62.51 124.73 83.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.664 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -61.8 141.26 89.63 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.84 2.36 . . . . 0.0 111.28 177.33 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -53.32 -34.96 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.378 -175.584 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.03 -51.11 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.277 0.361 . . . . 0.0 111.246 179.112 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -56.88 -42.72 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.924 176.643 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.7 t -58.12 -45.82 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.419 -177.319 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.6 mt-10 -65.78 -35.89 81.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 110.281 178.075 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HG3' ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -74.87 -27.12 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.104 -174.671 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -69.2 -22.04 63.92 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.39 . . . . 0.0 110.49 178.124 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.16 -27.4 65.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.924 0.392 . . . . 0.0 110.229 178.348 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -96.98 24.6 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.288 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 51.0 42.31 28.28 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.239 -179.515 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 38.7 mt-10 -108.23 112.89 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.276 176.335 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.33 90.26 41.83 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.93 144.21 94.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.777 2.318 . . . . 0.0 112.723 177.537 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -86.84 77.72 9.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.665 -178.357 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.6 OUTLIER -154.34 165.75 35.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.915 179.096 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.31 -42.85 15.28 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -53.64 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.105 0.479 . . . . 0.0 111.631 -174.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 m -61.12 -33.94 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.585 -178.839 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.529 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.8 mtt -64.54 -54.24 35.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.69 -174.007 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.6 m -67.87 -28.87 67.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' VAL . 41.1 t80 -60.07 -52.23 66.25 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.297 176.481 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.27 -42.69 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.907 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HD2' ' HB1' ' A' ' 97' ' ' ALA . 19.1 ttpp -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -178.018 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -57.44 -50.05 74.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.134 -178.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' TYR . 0.6 OUTLIER -70.35 -30.04 41.51 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.335 -175.97 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-85 -71.72 -29.97 65.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.641 179.398 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -72.84 -41.32 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.01 175.623 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 66.1 mttm -71.12 -29.96 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.229 -178.658 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.0 mtp -84.93 1.16 48.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.381 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 57.58 44.21 21.34 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD11 ' HG2' ' A' ' 71' ' ' GLN . 5.8 mt -118.63 -22.3 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.004 -175.552 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 72.3 t80 -133.67 132.66 40.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.108 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -101.78 132.16 47.68 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.381 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.7 -16.62 63.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -171.623 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.9 m -103.56 -60.37 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.153 178.571 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -79.59 -8.56 59.26 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -174.187 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.21 -153.83 26.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.308 -0.949 . . . . 0.0 113.204 177.329 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -60.19 124.48 15.32 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.042 2.495 . . . . 0.0 111.951 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 mt -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.3 t -51.87 -43.94 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.589 -173.814 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.35 -49.46 77.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.627 0.251 . . . . 0.0 111.378 -177.432 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -66.29 -37.06 84.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 178.422 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.423 HD22 H161 ' A' ' 201' ' ' ACD . 19.2 mt -60.12 -45.69 92.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.255 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -68.74 -44.7 82.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.122 178.639 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -62.22 -26.98 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 111.15 179.097 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' HG2' HD11 ' A' ' 56' ' ' LEU . 32.5 tp60 -82.28 -60.79 2.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.247 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.07 -49.63 66.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.493 -177.114 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 81' ' ' VAL . . . -81.22 33.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -175.586 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.422 ' NE2' ' HA ' ' A' ' 119' ' ' SER . 1.7 p80 -73.39 82.8 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.135 0.969 . . . . 0.0 110.472 -178.782 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.97 26.71 7.77 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.447 -174.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -141.86 169.71 17.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.53 104.51 0.81 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.358 0.599 . . . . 0.0 111.427 178.621 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.75 67.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.206 178.672 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.97 -43.26 96.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.13 -178.627 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -71.08 -46.22 62.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.193 0.52 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 73' ' ' ALA . 71.4 t -60.32 -46.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.746 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.76 -44.52 86.19 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.652 177.385 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 m -59.39 -49.61 77.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.0 -45.55 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 178.178 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.8 t -56.43 -49.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 177.637 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.17 -31.63 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.665 -177.81 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.26 -22.36 66.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 0.0 110.468 178.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.4 m -104.39 -13.4 16.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.329 -175.77 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 85' ' ' VAL . 98.7 t -70.82 113.33 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.985 0.422 . . . . 0.0 109.988 176.044 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -121.64 166.94 13.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.252 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -84.25 153.72 23.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.896 -177.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -79.78 73.81 6.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.586 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.3 p -87.21 -9.49 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.679 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.97 -19.55 25.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 178.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.89 20.63 12.17 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.77 -176.468 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.86 118.78 20.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.725 -178.417 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 48' ' ' LYS . . . -67.13 -34.51 77.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.099 -172.617 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.47 -45.5 93.98 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.957 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -76.65 -24.97 53.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.174 -176.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -69.13 -54.41 15.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.63 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.2 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.281 0.562 . . . . 0.0 110.399 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.65 -30.86 71.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.539 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -66.16 -46.34 77.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.854 0.359 . . . . 0.0 110.435 178.761 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.14 -46.37 94.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.906 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.43 -47.17 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.732 0.301 . . . . 0.0 111.024 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -60.68 -45.48 93.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.201 -177.086 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.32 -43.99 97.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.23 -46.73 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.921 -173.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -67.63 -18.32 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.333 . . . . 0.0 111.527 -177.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -70.29 -26.12 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.93 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -123.21 -29.65 3.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.821 -175.224 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -133.49 63.71 1.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.158 0.504 . . . . 0.0 110.953 -173.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.37 -25.34 29.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 -178.715 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.0 m -64.92 -39.08 92.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.567 179.367 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.2 -33.02 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.034 0.445 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.55 -45.09 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.977 178.264 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.42 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 177.173 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.2 73.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.731 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.422 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 20.6 t -63.5 -40.2 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.415 -178.649 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.9 pt -98.57 6.13 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.622 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -74.64 129.27 37.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 111.329 -177.011 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -127.82 136.28 51.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.601 176.283 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.038 178.823 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.446 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.784 0.326 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -86.12 103.41 14.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.79 117.25 5.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.342 0.591 . . . . 0.0 110.085 -179.624 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.18 123.68 42.37 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.333 -177.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.479 ' HB ' HE21 ' A' ' 71' ' ' GLN . 0.9 OUTLIER -87.61 144.72 8.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.418 -177.208 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -81.54 102.95 10.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.059 -178.109 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.7 p -82.42 -179.75 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.416 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -57.03 -40.03 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 110.446 178.207 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -58.34 -42.55 87.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.964 178.7 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -76.18 -38.87 56.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 -177.743 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 62.8 tp -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.695 -175.032 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -69.69 -23.63 63.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 110.719 -177.842 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.1 -53.54 24.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.115 177.583 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -66.16 -38.69 88.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.159 0.504 . . . . 0.0 110.743 -178.843 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.509 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.1 OUTLIER -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.681 -179.374 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -60.86 -50.65 72.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.091 176.749 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' HE3' ' A' ' 53' ' ' LYS . 6.5 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.667 -176.817 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 99.8 m -65.62 -33.18 75.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.3 -50.87 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 CA-C-O 121.09 0.471 . . . . 0.0 110.077 178.007 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -62.0 -44.93 95.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.456 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 t -69.58 -48.63 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.704 -175.568 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.76 8.57 11.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 -175.168 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 55.54 37.43 28.87 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.782 0.676 . . . . 0.0 111.349 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.32 122.6 82.34 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.97 143.64 91.51 Favored 'Trans proline' 0 C--O 1.237 0.456 0 C-N-CA 122.735 2.29 . . . . 0.0 111.543 176.3 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.15 -31.22 61.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.11 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.25 -54.3 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.571 175.724 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 44.1 m-85 -64.36 -36.98 85.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.678 179.012 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.67 -44.33 76.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.648 -178.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 9.0 mt-10 -64.62 -36.85 85.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.512 179.335 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.7 -46.58 81.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.774 -178.651 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 13.6 m-85 -58.58 -41.22 85.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -61.38 -33.48 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.714 -178.172 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -88.92 17.93 5.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.9 m95 55.54 49.52 16.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.611 -177.781 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -126.82 109.43 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.572 176.694 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -115.73 98.52 51.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -175.325 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -62.79 147.68 94.37 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.97 2.447 . . . . 0.0 113.221 177.266 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.82 80.29 8.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.051 178.364 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.596 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -153.76 159.75 42.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -178.639 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.03 -45.08 51.78 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.077 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -53.38 -60.14 3.68 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.464 0.478 . . . . 0.0 111.386 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.7 m -59.84 -35.41 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.447 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 67.2 mtt -65.69 -53.16 44.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.593 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.45 -27.59 66.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.678 -179.212 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -60.89 -49.85 75.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.25 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.48 -37.72 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.668 178.514 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.4 tmmm? -61.55 -54.32 44.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.367 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.44 -49.14 73.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.579 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.95 -47.7 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 121.164 0.507 . . . . 0.0 110.792 -177.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -67.4 -25.39 65.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.106 -177.633 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -79.67 -39.9 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 mttm -67.8 -33.48 74.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.603 179.264 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.8 mtp -84.8 9.88 12.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.505 -179.148 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 55.8 43.91 26.94 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.61 177.492 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 68' ' ' LEU . 8.9 mt -122.56 -17.61 6.91 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.409 -174.448 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 73.2 t80 -142.95 140.28 31.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 178.78 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -124.11 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.118 178.079 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.16 -17.99 65.07 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.757 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.9 m -100.36 -62.48 1.24 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.488 -179.17 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.22 -15.26 58.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -175.437 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.11 -151.27 28.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.376 -178.195 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -62.61 123.98 13.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.996 2.464 . . . . 0.0 111.847 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -83.41 95.14 8.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.3 t -50.08 -45.91 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.646 -174.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.3 -51.58 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.756 0.313 . . . . 0.0 111.109 -177.345 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -58.44 -37.83 76.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.194 0.521 . . . . 0.0 110.303 177.51 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 56' ' ' LEU . 15.4 mt -61.91 -40.49 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.38 -179.019 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 65' ' ' VAL . 62.0 t -71.68 -40.99 71.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.53 177.451 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -60.12 -29.83 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.661 179.411 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.479 HE21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -90.49 -60.35 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.691 -179.304 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 74' ' ' HIS . 86.3 mt -61.82 -40.45 95.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -174.03 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.76 33.77 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.07 0.462 . . . . 0.0 111.888 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.477 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.6 t-80 -70.77 79.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.793 177.761 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 30.57 6.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.743 179.475 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -154.01 169.3 23.83 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 111.265 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 81' ' ' VAL . 14.1 m-20 -64.87 110.93 2.6 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.984 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.97 -39.11 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.52 -177.315 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -43.47 98.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 0.0 111.286 -178.307 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.57 -45.26 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 77' ' ' ASP . 95.2 t -57.65 -49.02 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.334 178.251 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -56.45 -44.06 80.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -60.67 -52.61 64.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.245 -177.474 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -56.89 -42.0 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.8 t -61.0 -50.09 82.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.35 177.525 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.04 -32.73 64.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.119 -176.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -77.94 -4.69 48.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 111.033 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 32.9 m -112.88 -7.12 13.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.408 175.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 85' ' ' VAL . 91.4 t -89.3 102.77 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.008 175.718 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -124.51 179.4 4.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.513 179.035 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -77.77 153.37 32.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.0 111.891 -175.662 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.437 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 50.6 t30 -78.86 75.84 5.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.194 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -83.16 -21.12 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.691 -175.569 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.581 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 7.4 p-10 -86.8 -13.46 45.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.33 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 65.08 25.39 12.53 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.253 174.586 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -133.04 112.36 11.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.297 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.88 -29.96 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.297 -175.454 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.7 m -66.64 -38.95 87.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 110.847 178.713 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.581 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 7.0 t-160 -84.32 -28.4 27.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -176.093 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.437 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -63.79 -52.82 58.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.097 177.633 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.87 88.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 177.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -67.77 -33.86 75.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.959 -179.273 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -73.56 -39.82 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.256 -178.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.489 ' O ' H191 ' A' ' 201' ' ' ACD . . . -63.27 -45.43 95.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.458 177.055 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -65.84 -46.5 78.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.376 -0.412 . . . . 0.0 111.034 -179.576 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -69.03 -34.86 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 -175.275 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.613 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -73.15 -50.8 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -174.241 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -19.55 64.7 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.08 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -68.43 -29.84 68.6 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.514 -179.346 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.45 -29.92 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -176.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -135.72 68.82 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 0.0 111.368 -172.335 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.1 tp -85.2 -32.2 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -62.36 -35.57 79.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 -178.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.02 -36.07 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 177.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -40.13 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.291 0.567 . . . . 0.0 110.121 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -64.23 -47.24 80.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.765 177.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.47 -28.77 68.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.525 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.446 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 16.8 t -59.82 -44.62 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.36 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.9 pt -95.24 -1.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.945 0.403 . . . . 0.0 111.218 -178.86 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -90.21 119.76 30.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.59 -178.681 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -87.79 90.18 8.28 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.167 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.64 -179.361 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.509 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ttt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.611 0.243 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -89.7 110.46 21.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.284 0.564 . . . . 0.0 110.115 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -96.58 137.2 36.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.701 179.039 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.07 109.83 22.52 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.677 -178.254 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.66 148.02 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.51 178.272 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -72.93 96.63 2.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.373 178.724 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.6 p -79.97 179.38 7.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.423 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 5.8 m -54.6 -41.54 70.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.93 178.294 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.92 -44.86 91.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.927 -179.024 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 109.875 178.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.63 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 64.1 tp -58.44 -38.6 77.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 8' ' ' THR . 81.4 mm-40 -61.71 -26.86 68.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -176.587 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -77.85 -41.67 36.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.912 179.65 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -67.91 -28.54 67.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.283 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 27.7 mtp180 -59.25 -53.72 55.09 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.525 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -57.14 -49.09 77.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.538 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -71.77 -33.26 68.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.148 178.695 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.33 -52.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 110.365 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 t -64.53 -36.83 85.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.562 -178.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.9 m -73.31 -45.42 55.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.388 -177.197 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.94 6.94 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -176.849 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 57.34 34.53 24.84 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.72 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.1 mm -64.14 122.05 75.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.77 143.43 99.39 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.944 2.429 . . . . 0.0 111.978 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -30.0 57.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.794 -178.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.81 -54.34 24.48 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.563 0.539 . . . . 0.0 111.396 177.221 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 56.8 m-85 -61.82 -36.56 81.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.43 179.175 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.46 -43.81 87.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.481 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.1 mt-10 -59.9 -36.39 76.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.3 178.45 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.96 -46.47 71.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.046 -179.664 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.7 m-85 -58.68 -34.07 70.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.15 -24.27 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 0.0 110.623 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -105.52 17.12 24.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.368 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.7 m95 53.87 41.52 32.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.285 -177.212 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -110.86 113.15 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.132 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.64 93.73 34.12 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.291 -177.468 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.74 145.07 91.73 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.588 2.192 . . . . 0.0 112.602 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -79.04 78.49 5.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.189 0.995 . . . . 0.0 109.606 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' A' ' 44' ' ' MET . 14.5 t70 -143.98 145.52 32.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.077 -175.211 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.2 -28.8 65.14 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.562 0.539 . . . . 0.0 111.348 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -59.43 -57.34 13.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.052 0.454 . . . . 0.0 110.64 176.583 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.8 m -59.04 -34.17 71.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.155 178.035 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.4 mtt -67.18 -47.04 72.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.57 -174.092 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.05 -49.43 77.93 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.264 176.313 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.02 -39.83 83.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.832 178.181 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -61.0 -50.11 74.72 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.331 -179.237 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.9 t -59.31 -47.93 83.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.7 t -61.4 -47.19 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.502 . . . . 0.0 111.015 -177.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -63.37 -27.92 69.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.689 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -79.29 -39.88 31.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.994 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -68.76 -27.02 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.617 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.54 8.89 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.601 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 54.75 48.57 19.89 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 7.1 mt -124.87 -17.38 5.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.195 -176.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 70.4 t80 -139.18 144.13 38.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.507 178.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -123.26 137.79 54.78 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.61 -12.83 61.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.461 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.0 m -103.5 -63.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 111.568 177.035 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.43 -8.98 58.58 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -174.551 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.93 -144.27 27.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.342 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.64 123.72 10.42 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.392 2.062 . . . . 0.0 111.764 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.2 mt -83.16 90.83 7.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.767 -178.033 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.4 t -49.32 -43.98 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.823 -1.081 . . . . 0.0 112.78 -174.369 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.53 -49.93 73.38 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -176.36 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.02 -35.48 80.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.987 0.423 . . . . 0.0 110.326 177.305 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 18.3 mt -58.9 -48.98 79.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.281 179.638 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.18 -38.78 78.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 177.64 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -57.49 -34.67 69.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.765 178.355 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.623 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 7.9 tp60 -89.73 -56.32 3.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.525 -177.101 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 94.8 mt -62.96 -43.21 99.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.378 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.11 34.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -73.4 86.58 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 30.44 7.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 178.542 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HD2' HD13 ' A' ' 115' ' ' LEU . 21.1 mtt180 -153.26 167.6 28.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 110.677 178.531 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.51 108.48 0.97 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.713 178.218 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.41 66.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.195 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.76 -52.55 64.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.118 178.283 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.66 -43.21 85.16 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.243 -178.566 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.6 t -57.33 -48.86 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -55.82 -46.09 78.18 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 110.714 177.195 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -62.0 -49.62 75.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.21 -178.717 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.05 -43.59 91.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.667 178.768 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 89' ' ' VAL . 29.4 t -56.96 -48.88 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 175.87 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.33 -27.35 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.906 -177.531 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.96 -14.05 62.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 110.618 177.352 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 m -109.95 -11.1 14.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.734 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 85' ' ' VAL . 59.5 t -82.86 133.08 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.111 176.691 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -158.55 162.83 37.42 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.39 154.68 41.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.079 0.466 . . . . 0.0 111.277 -176.142 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -73.53 74.68 1.46 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.584 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.3 p -80.83 -23.21 39.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.27 -19.49 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.554 -177.727 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 65.54 22.6 11.79 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.506 178.489 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -139.06 114.28 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.321 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.65 70.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.929 -174.218 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -63.05 -42.16 99.66 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.611 178.151 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -81.72 -24.72 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -62.78 -54.57 37.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.173 177.604 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.88 93.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.725 178.629 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.478 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.1 t80 -65.39 -33.59 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.817 -178.053 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -67.81 -37.52 82.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.668 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.08 -44.56 91.09 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.553 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -66.66 -48.83 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.24 . . . . 0.0 110.883 -179.379 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -60.5 -45.51 93.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -177.771 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.83 -44.53 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.091 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 23.4 t80 -75.62 -46.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.988 -174.075 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 1.9 pp0? -69.77 -13.02 62.07 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.834 0.349 . . . . 0.0 111.562 -177.511 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.011 0.434 . . . . 0.0 110.32 178.061 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -113.87 -26.82 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.436 -173.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -132.94 61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.983 0.42 . . . . 0.0 110.935 -174.26 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 109' ' ' GLN . 56.1 tp -83.02 -31.12 27.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.994 0.426 . . . . 0.0 111.108 -178.704 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -64.69 -35.1 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.088 -178.848 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' A' ' 76' ' ' ARG . 42.3 tp -66.9 -32.82 74.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 178.33 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.437 HG23 ' C9 ' ' A' ' 201' ' ' ACD . 81.8 mt -67.87 -41.13 84.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.186 178.096 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -66.76 -40.54 88.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.809 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -24.57 59.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.311 178.414 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.623 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 27.5 t -63.5 -45.1 92.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.399 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.99 -1.65 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.201 0.524 . . . . 0.0 111.303 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -87.32 121.6 29.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.949 -176.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -79.27 157.0 27.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.323 176.604 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.782 -0.628 . . . . 0.0 109.769 178.397 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 201' ' ' ACD . . . . . 0.594 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 120.657 0.265 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.8 p -82.16 -179.95 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.648 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -60.67 -35.76 77.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.991 0.424 . . . . 0.0 111.077 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -67.05 -37.28 83.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.245 0.545 . . . . 0.0 109.639 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 61.4 tp -63.92 -36.19 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.183 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -67.96 -21.44 65.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.073 0.463 . . . . 0.0 110.485 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 93.4 mtt180 -80.56 -55.29 4.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.28 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.02 -45.57 79.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.783 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.78 -36.19 83.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.077 -175.47 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.1 m -63.72 -48.99 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.9 mm-40 -63.67 -37.85 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.7 m -65.57 -35.73 81.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -52.98 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.664 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -67.18 -21.62 65.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.057 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.3 m -89.76 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.231 -0.293 . . . . 0.0 111.255 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.0 12.15 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 55.4 35.26 24.66 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -66.72 121.75 78.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.61 138.61 81.09 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.817 2.345 . . . . 0.0 111.776 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.02 -32.78 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.261 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.13 -46.04 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.214 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -63.17 -38.49 91.39 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' HA ' ' CD2' ' A' ' 32' ' ' PHE . 48.8 t -60.83 -39.1 80.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.107 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 19.7 mm-40 -59.55 -40.47 87.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.358 175.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.84 -49.67 75.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.115 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.403 ' CD2' ' HA ' ' A' ' 29' ' ' VAL . 13.9 m-85 -57.45 -33.19 67.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.515 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.448 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -98.06 22.25 9.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.0 m95 50.69 47.29 24.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.311 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -119.81 109.32 15.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.852 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 36.8 m-85 -113.96 105.21 54.63 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.087 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 37' ' ' PHE . 56.0 Cg_endo -69.62 149.68 68.1 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.42 83.08 5.48 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.361 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.715 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -149.34 150.14 31.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.673 -175.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.906 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.4 m -64.46 -57.14 10.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 m -56.43 -33.87 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.284 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.1 mtt -66.17 -49.83 66.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.46 -29.89 70.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.415 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.8 -50.03 75.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.296 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.72 -38.93 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.915 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.371 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 23.7 t -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.194 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.94 -48.22 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.065 0.46 . . . . 0.0 110.976 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -64.57 -23.73 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.984 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -80.56 -41.91 23.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.234 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 1.4 mptm? -73.55 -18.09 61.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.1 mtp -89.33 -0.55 57.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.519 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 55.88 48.94 16.98 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mt -121.9 -16.13 7.67 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.119 -175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -140.79 142.32 34.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.443 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.6 t70 -125.33 146.66 49.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.698 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.62 -12.42 60.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.474 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.443 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 18.5 m -101.1 -63.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.582 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -77.0 -15.45 59.63 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.82 -138.12 19.69 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.863 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HG2' HG13 ' A' ' 89' ' ' VAL . 37.9 Cg_endo -67.28 124.3 11.95 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.351 2.034 . . . . 0.0 112.064 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.4 mt -82.96 91.41 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 69' ' ' VAL . 79.4 t -48.9 -46.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.378 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.03 -56.36 22.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.491 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.24 -32.59 74.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.355 . . . . 0.0 110.441 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.1 -49.38 77.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.04 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 65' ' ' VAL . 0.9 OUTLIER -76.04 -29.93 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.257 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.65 -28.77 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.141 0.496 . . . . 0.0 110.76 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -89.46 -59.59 2.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.861 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 91.6 mt -61.15 -42.79 99.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -71.18 33.2 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -176.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.3 t-80 -71.64 87.6 0.94 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.64 16.76 25.67 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.534 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HD2' HD13 ' A' ' 115' ' ' LEU . 61.4 mtt180 -144.06 162.67 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 81' ' ' VAL . 31.5 t70 -65.13 117.27 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.332 0.587 . . . . 0.0 111.142 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.42 74.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.301 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -65.38 -44.96 85.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 28.9 tt0 -65.16 -44.05 89.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.285 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 77' ' ' ASP . 85.0 t -56.98 -46.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.374 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 82' ' ' ARG . 25.3 ttt180 -53.83 -43.61 69.56 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 175.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 80' ' ' GLU . 17.6 m -60.43 -54.13 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 25.3 mt-10 -58.6 -40.42 83.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.558 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.1 t -59.88 -48.87 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.716 0.293 . . . . 0.0 111.055 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.6 mt -59.15 -28.76 66.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.559 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.97 -6.63 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.722 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m -118.23 -6.7 10.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.094 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 85' ' ' VAL . 86.9 t -81.47 125.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.933 0.397 . . . . 0.0 110.042 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -138.82 -177.02 4.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.843 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -100.4 152.77 19.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.048 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -80.14 64.02 4.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.7 t -73.62 -19.65 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.588 0.709 . . . . 0.0 110.604 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.47 -18.63 48.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.303 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.2 m120 66.08 19.43 11.16 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.071 -0.968 . . . . 0.0 113.473 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.55 127.13 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 171.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.73 76.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.021 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 86.1 m -62.76 -39.44 94.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.053 0.454 . . . . 0.0 110.199 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -78.6 -27.24 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -64.65 -55.12 22.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 110.034 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.1 79.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.571 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.451 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.7 t80 -68.43 -33.0 73.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.943 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.57 -45.52 94.49 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.336 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.66 -47.93 76.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -63.17 -41.15 99.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.3 t -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.106 0.479 . . . . 0.0 111.132 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.8 -48.24 32.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.66 -27.98 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.731 0.3 . . . . 0.0 111.46 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.19 -14.57 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.889 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.1 -32.54 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.677 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -139.37 69.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.287 -174.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -85.31 -29.72 24.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.871 0.367 . . . . 0.0 110.755 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.8 t -63.73 -36.71 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.131 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.434 HD13 ' HD2' ' A' ' 76' ' ' ARG . 38.2 tp -65.75 -35.34 80.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.392 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.56 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.15 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.19 -36.9 80.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.846 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.33 65.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.1 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 96.7 p -62.64 -38.18 89.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.337 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.0 pt -90.41 -3.73 10.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.992 0.425 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.0 tttp . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -178.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.404 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 17.9 m . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 p -86.22 -177.62 6.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -43.96 72.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.141 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.53 -47.02 83.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.269 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 13' ' ' ARG . 10.3 m-20 -67.65 -39.76 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 0.0 110.497 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.1 tp -62.36 -34.19 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.014 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.91 -35.05 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.586 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 55.7 ttt180 -59.82 -53.75 54.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.939 176.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -64.93 -29.69 70.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.789 -172.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 34.9 mtt180 -60.4 -42.12 95.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.625 176.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -64.61 -46.68 81.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.384 -176.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.64 -37.76 88.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.653 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -77.46 -30.92 53.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.29 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.14 -51.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.117 0.484 . . . . 0.0 110.406 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 p -66.28 -37.33 85.2 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.581 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -71.68 -48.27 48.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.09 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.28 10.75 16.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.657 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 55.35 33.1 20.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.821 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.03 124.95 85.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.808 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -63.68 143.99 88.28 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.859 2.372 . . . . 0.0 111.755 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.848 -176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD2' ' HE2' ' A' ' 31' ' ' LYS . 29.0 t70 -54.04 -50.28 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 176.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 36.9 m-85 -60.83 -36.1 78.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.537 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.52 -44.63 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.235 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.6 mt-10 -61.98 -32.18 72.6 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.18 0.514 . . . . 0.0 110.462 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 66.4 mttm -66.96 -54.52 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.554 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 13.6 m-85 -57.14 -34.09 68.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.273 -176.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -59.88 -37.63 79.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -97.44 26.75 4.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.51 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.6 m95 55.66 40.27 30.93 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 31' ' ' LYS . 46.3 mt-10 -106.06 111.53 24.2 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -122.27 83.01 45.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.457 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -59.5 149.0 84.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.844 2.362 . . . . 0.0 112.401 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -76.05 79.11 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.796 0.808 . . . . 0.0 109.747 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.611 ' O ' ' HG3' ' A' ' 44' ' ' MET . 15.3 t70 -141.34 144.06 34.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.026 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.81 -25.89 66.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.62 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 m -64.63 -56.05 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 110.446 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.8 m -56.34 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.206 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.611 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -65.32 -53.24 46.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.7 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.09 -30.85 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.675 0.274 . . . . 0.0 110.282 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -59.67 -49.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.28 -38.78 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -62.16 -53.56 53.66 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.712 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.3 -49.94 68.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.61 -45.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.4 m-30 -63.92 -25.9 68.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -84.01 -36.36 23.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.069 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 6' ' ' SER . 8.4 mmm -88.23 0.59 55.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.919 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 53.45 53.86 11.0 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.321 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 68' ' ' LEU . 9.0 mt -127.11 -17.42 4.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.234 -175.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 81.4 t80 -140.59 134.99 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 23.5 t70 -120.53 144.62 47.95 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.0 -16.76 61.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.026 0.441 . . . . 0.0 111.371 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.437 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 25.3 m -97.9 -64.03 1.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.181 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -70.78 -24.24 62.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.626 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.37 -150.03 21.65 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.774 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.67 119.72 7.16 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.724 2.283 . . . . 0.0 111.53 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.58 87.17 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 76.6 t -48.77 -45.5 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.493 -174.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.61 -50.44 72.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.615 0.245 . . . . 0.0 111.32 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -65.49 -34.49 78.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.271 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 56' ' ' LEU . 17.9 mt -61.09 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.307 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 65.7 t -69.0 -36.54 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -66.33 -34.07 77.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.469 . . . . 0.0 111.109 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.42 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 25.2 tp60 -82.24 -59.56 2.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.932 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 119' ' ' SER . 99.2 mt -63.67 -53.98 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -85.45 32.74 0.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -68.62 108.05 3.2 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.336 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.59 36.0 75.55 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -148.26 170.34 18.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.44 92.3 0.06 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.954 0.406 . . . . 0.0 111.368 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.14 74.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.428 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.12 -47.88 80.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.322 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.83 -45.44 82.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 73' ' ' ALA . 56.7 t -58.41 -51.95 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.553 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -54.97 -43.14 73.22 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.015 0.436 . . . . 0.0 110.685 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -60.24 -51.76 68.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.251 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -60.89 -40.36 92.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.881 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 89' ' ' VAL . 31.7 t -56.8 -48.35 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.2 mt -58.73 -29.53 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.219 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.97 -22.91 66.5 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.778 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -105.31 -10.19 17.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.925 -175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 85' ' ' VAL . 63.9 t -80.41 131.19 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.026 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.413 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 14.3 t70 -155.25 169.28 24.54 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -75.93 158.3 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.17 0.51 . . . . 0.0 111.276 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -73.87 71.77 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.915 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 p -87.93 -1.97 58.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.544 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.16 -21.72 29.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 62.27 19.05 10.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 122.026 0.917 . . . . 0.0 110.462 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -150.61 117.41 5.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.77 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.936 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.35 -44.62 95.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.792 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.503 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 23.3 t-80 -82.84 -23.83 33.57 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.568 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -66.87 -54.55 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.038 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.95 86.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.5 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.09 -31.71 72.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.615 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 90' ' ' ASP . 6.4 ttm180 -69.25 -42.2 75.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.33 -45.32 95.33 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.72 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -67.44 -45.26 76.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -64.79 -40.8 95.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.12 -41.39 99.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.27 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -76.05 -46.66 28.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.509 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.8 -21.55 66.5 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.702 0.286 . . . . 0.0 111.263 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.42 -35.92 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.802 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -119.72 -17.03 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.914 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -139.39 70.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.37 -32.43 17.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.2 m -63.24 -33.58 75.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.747 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.418 HD21 HG22 ' A' ' 81' ' ' VAL . 50.8 tp -67.85 -34.74 77.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.331 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.21 -43.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.992 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -62.25 -39.88 94.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.263 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.276 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.481 ' HB2' HD23 ' A' ' 72' ' ' LEU . 27.3 t -56.6 -47.48 79.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.548 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 45.4 pt -94.81 2.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.417 . . . . 0.0 111.377 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 -178.767 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -81.42 -176.5 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.45 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.4 m -55.83 -45.08 78.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.78 -42.32 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.95 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.72 -40.01 91.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 0.0 109.967 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 62.1 tp -61.8 -32.45 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -64.31 -37.41 87.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.536 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 47.0 ttt180 -60.31 -62.23 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.329 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -58.63 -39.13 79.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.693 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.889 0.376 . . . . 0.0 110.099 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -64.58 -50.41 67.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.14 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.644 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 14.8 mt-10 -60.81 -38.2 84.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.243 -178.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 98.0 m -70.26 -35.28 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.857 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.98 -52.93 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.269 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 t -65.33 -38.17 89.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.18 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 t -69.27 -49.19 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 0.0 111.128 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.38 7.31 23.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 55.93 42.74 28.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.407 0.622 . . . . 0.0 110.637 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mm -71.44 118.92 70.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.05 145.21 98.94 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.405 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.98 -30.58 61.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.008 -177.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -53.49 -55.24 27.01 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.0 m-85 -58.78 -39.9 82.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.239 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -56.51 -43.06 77.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.72 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.6 mt-10 -62.68 -42.95 99.9 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.81 -47.16 87.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.5 m-85 -57.95 -35.28 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.59 -35.64 81.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.56 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -89.3 21.51 3.26 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.868 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.3 m95 53.99 45.26 27.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.017 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -121.51 111.01 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -115.79 97.98 50.08 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.88 145.75 71.49 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.824 2.35 . . . . 0.0 112.758 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.44 78.58 7.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.678 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' A' ' 44' ' ' MET . 2.1 p30 -155.51 167.99 28.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.147 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -49.98 -46.47 52.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -171.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -56.44 15.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.048 0.451 . . . . 0.0 111.587 -175.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.427 HG23 ' CE2' ' A' ' 32' ' ' PHE . 25.6 m -62.43 -34.45 76.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.627 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.8 mtt -65.52 -49.28 69.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 97.1 m -69.17 -29.21 67.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.84 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -60.39 -51.62 68.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.442 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.4 mm -60.24 -39.16 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.562 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HE2' ' HB1' ' A' ' 97' ' ' ALA . 35.4 tttm -56.56 -55.64 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.591 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.1 t -57.82 -46.62 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.677 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.56 -46.09 95.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.415 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.953 -177.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -80.32 -40.71 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 47.4 mttm -66.51 -28.29 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.515 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 49.6 mtm -90.71 8.47 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 52.83 47.22 25.14 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.787 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.29 -14.87 9.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.375 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 71.4 t80 -142.0 139.53 32.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.362 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -122.92 142.85 50.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.12 -18.2 65.11 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -106.43 -62.01 1.45 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.806 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.09 -13.03 60.44 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.04 -146.28 31.94 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.402 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.48 124.53 16.33 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 111.973 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.4 mt -86.45 91.77 8.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.63 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 69' ' ' VAL . 87.5 t -51.21 -45.61 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.692 -1.14 . . . . 0.0 113.15 -171.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.92 -55.46 32.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.202 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.12 -33.53 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.356 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.8 mt -61.76 -47.24 86.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.314 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 65' ' ' VAL . 81.5 t -69.13 -43.44 81.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.882 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -62.22 -26.69 68.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.003 0.43 . . . . 0.0 110.939 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.478 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 5.5 tp60 -90.25 -60.64 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.455 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 89.1 mt -61.1 -42.86 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.162 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 34.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 t-160 -64.07 89.01 0.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.0 27.21 38.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.222 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 115' ' ' LEU . 63.4 mtt180 -143.93 170.44 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.86 -0.2 . . . . 0.0 111.152 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 81' ' ' VAL . 13.4 m-20 -59.91 104.6 0.31 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.782 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.76 78.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.611 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 111.243 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.67 -44.85 89.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.963 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 77' ' ' ASP . 75.7 t -57.93 -48.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.139 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -56.76 -45.09 82.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -61.34 -50.81 71.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.005 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.61 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.537 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.6 t -58.24 -49.04 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 174.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.52 -29.25 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.907 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -69.67 -18.76 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.644 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 34.2 m -104.11 -3.86 23.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.631 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 85' ' ' VAL . 86.3 t -88.24 107.18 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.748 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -115.52 168.24 10.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.722 175.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 91' ' ' LYS . 37.6 mtpt -81.21 160.25 24.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.454 . . . . 0.0 110.548 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.46 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 54.3 t30 -80.06 70.46 6.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.578 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.5 p -83.61 -15.83 47.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.647 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.48 -19.18 46.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.818 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 63.29 24.3 14.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.404 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.59 120.83 15.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.422 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' A' ' 48' ' ' LYS . . . -70.64 -32.67 70.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -171.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.2 m -62.58 -43.61 98.37 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.701 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -75.41 -28.51 59.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.426 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 10.5 t90 -66.95 -55.06 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.371 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.36 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.703 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.476 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 81.4 t80 -65.82 -32.28 73.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.906 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.7 -39.54 70.13 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.439 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.4 -44.23 98.31 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.294 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.95 -47.59 68.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.937 0.398 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.137 -177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.15 -43.41 98.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -77.43 -48.54 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.405 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' HD13 ' A' ' 113' ' ' LEU . 1.4 pp0? -60.68 -26.8 67.36 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.883 0.373 . . . . 0.0 111.184 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.73 -28.18 69.41 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -109.44 -34.81 6.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -138.06 72.82 1.42 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -171.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 109' ' ' GLN . 59.0 tp -89.81 -30.16 18.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.12 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 m -63.82 -35.03 79.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.893 0.378 . . . . 0.0 110.535 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.407 ' CD1' ' HD2' ' A' ' 76' ' ' ARG . 31.1 tp -64.1 -36.68 84.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.941 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.9 -43.19 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.478 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.18 -44.45 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.807 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.72 73.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.355 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.472 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 97.3 p -59.56 -39.39 83.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.791 -176.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.3 pt -89.44 -2.14 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.422 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 tttm . . . . . 0 C--N 1.324 -0.541 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.75 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.4 p -78.21 176.03 9.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.536 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m -55.62 -38.52 69.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.476 . . . . 0.0 110.909 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.67 -40.44 84.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.906 -178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.29 -40.12 95.31 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.22 -35.07 79.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.185 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.19 -33.02 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 5.0 tpm_? -73.15 -41.07 64.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -67.4 -34.68 77.77 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.003 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -40.79 92.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.568 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.14 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.981 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.65 -49.32 75.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 -32.7 69.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.597 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.7 -51.24 64.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.746 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 t -66.58 -37.43 84.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.476 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -75.16 -46.66 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.739 0.305 . . . . 0.0 111.602 -175.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.8 mt -87.59 13.45 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 53.48 37.22 25.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.513 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.39 119.8 68.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.786 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.62 142.76 99.36 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.077 2.518 . . . . 0.0 112.136 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.44 -33.7 60.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.694 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.32 -51.67 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.544 0.527 . . . . 0.0 111.585 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -61.26 -36.59 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.441 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.66 -40.93 88.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.6 mt-10 -63.12 -35.16 79.34 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.1 0.476 . . . . 0.0 110.347 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -68.58 -48.59 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.157 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -59.48 -31.33 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.03 -24.31 64.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.931 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -117.32 27.28 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 0.0 111.241 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.3 m95 54.68 45.83 25.96 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.117 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -116.57 109.64 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -114.18 97.19 44.84 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -59.42 142.94 99.76 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.326 2.017 . . . . 0.0 112.294 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -81.07 83.09 6.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.575 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.6 t70 -149.84 149.81 31.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.047 -175.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.87 -42.77 37.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.421 0.451 . . . . 0.0 111.448 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.2 m -51.84 -57.71 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.416 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -59.83 -34.73 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.33 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -69.36 -48.68 60.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.162 -174.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.4 m -66.55 -28.89 68.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.94 0.4 . . . . 0.0 110.162 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -61.32 -45.98 92.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.329 175.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.4 -44.26 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.052 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 4.4 ptmm? -66.6 -41.26 88.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.695 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.491 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 13.2 t -59.21 -50.65 73.2 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.9 -46.37 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.302 0.572 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -63.22 -23.86 67.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.09 -39.02 20.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 5.4 mptp? -66.76 -23.74 66.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.025 0.44 . . . . 0.0 110.489 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.06 -0.75 57.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.278 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 57.16 52.63 8.74 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.398 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.505 HD11 ' HG2' ' A' ' 71' ' ' GLN . 6.9 mt -125.84 -20.11 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.654 -174.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.2 t80 -136.91 138.98 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.009 0.433 . . . . 0.0 110.188 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.15 137.12 53.18 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.37 -18.06 64.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 m -99.68 -61.55 1.35 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.457 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -79.34 -7.99 58.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.977 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.72 -153.38 36.52 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.928 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.46 123.32 13.34 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.194 2.596 . . . . 0.0 111.855 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.28 93.04 8.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.1 t -52.14 -44.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.752 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.413 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 22.1 t70 -57.89 -54.22 49.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 -177.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.486 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.61 -42.62 99.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 65' ' ' VAL . 67.1 t -69.4 -44.39 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.65 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.413 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 53.5 m-70 -63.09 -23.64 67.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 0.0 111.284 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.505 ' HG2' HD11 ' A' ' 56' ' ' LEU . 28.0 tp60 -89.76 -60.39 1.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.742 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 74' ' ' HIS . 92.5 mt -67.67 -41.45 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.83 33.07 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 72' ' ' LEU . 38.9 t-80 -72.42 81.94 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.72 27.75 7.36 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.518 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' HD2' HD13 ' A' ' 115' ' ' LEU . 39.5 mtt180 -148.27 163.05 38.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.598 0.237 . . . . 0.0 110.803 177.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.6 111.87 2.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.943 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.43 74.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.124 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.05 -44.54 87.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 111.119 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 32.9 tt0 -67.08 -45.63 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.2 t -58.04 -48.74 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.634 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.86 -43.44 69.53 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.103 0.478 . . . . 0.0 110.519 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -62.84 -52.96 61.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.177 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 18.9 mt-10 -57.87 -40.71 80.88 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.567 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.1 t -59.87 -51.55 71.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.624 0.25 . . . . 0.0 111.063 176.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.9 mt -56.55 -31.9 64.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.851 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.07 -15.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.2 m -108.64 -6.2 16.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.8 t -80.15 100.32 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.438 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -103.62 171.81 7.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.541 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -93.45 158.59 15.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -77.99 71.34 4.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -84.84 -20.93 30.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.572 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -78.76 -15.87 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.62 27.86 17.57 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.971 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -146.27 117.83 8.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.029 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.28 71.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.042 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.533 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 68.5 m -66.04 -46.12 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.881 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -76.52 -26.98 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.368 . . . . 0.0 110.027 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -67.21 -57.08 7.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.7 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.35 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.629 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.456 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 70.1 t80 -68.5 -32.93 73.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.554 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -67.7 -43.22 80.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.178 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.32 -48.91 79.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.04 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -63.83 -46.27 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 59.4 tttt -65.03 -42.81 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -59.13 -42.76 91.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.403 0.621 . . . . 0.0 110.762 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.405 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 28.3 t80 -73.9 -53.58 9.84 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.84 -174.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.67 -27.54 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.4 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 106' ' ' LYS . 4.4 tmtm? -60.29 -37.29 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.271 0.557 . . . . 0.0 109.75 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -106.98 -25.09 11.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.907 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -140.67 69.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.564 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.8 tp -88.32 -27.97 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.135 0.493 . . . . 0.0 110.51 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 m -61.6 -39.25 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.696 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.433 HD13 ' HD2' ' A' ' 76' ' ' ARG . 55.3 tp -65.01 -35.08 80.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.8 -39.86 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.33 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.66 -42.44 91.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.16 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.33 66.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.376 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.6 t -58.18 -46.86 85.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.505 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -90.91 -0.54 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.515 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.7 tttm . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 121.192 0.52 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -82.45 -176.44 6.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -54.91 -48.41 73.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.407 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.0 -38.99 84.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.788 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -66.81 -43.6 83.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.239 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.702 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.6 tp -59.98 -36.63 77.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.383 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.4 -40.35 68.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.611 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.27 -41.71 89.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.307 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -71.57 -39.02 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.104 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.702 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.0 mtp180 -60.83 -49.92 75.51 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -59.83 -51.42 69.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.891 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.03 -45.09 71.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.779 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.43 -35.62 78.07 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.758 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.404 HG13 ' HB ' ' A' ' 24' ' ' ILE . 3.3 t -62.02 -54.24 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.008 0.433 . . . . 0.0 110.547 176.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.1 m -64.94 -28.93 69.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.062 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -82.53 -44.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.64 0.257 . . . . 0.0 111.267 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -83.67 8.04 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.04 36.14 25.79 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.906 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.404 ' HB ' HG13 ' A' ' 19' ' ' VAL . 36.6 mm -68.57 119.54 69.31 Favored Pre-proline 0 N--CA 1.453 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.197 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.83 142.22 98.73 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.991 2.46 . . . . 0.0 112.482 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.59 -33.0 59.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.744 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.0 -47.48 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.406 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -65.9 -34.17 77.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.594 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.4 t -60.24 -43.51 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 15.2 mt-10 -61.06 -32.08 71.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.004 0.431 . . . . 0.0 110.659 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -65.98 -53.33 40.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.288 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.34 -31.38 67.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.336 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -56.88 -36.64 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.93 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -105.03 29.23 6.51 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.152 0.501 . . . . 0.0 110.703 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 78.7 m95 50.71 50.28 19.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.105 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -114.93 111.22 20.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.956 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -114.27 99.23 50.58 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.554 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.18 143.3 83.52 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.313 2.009 . . . . 0.0 111.974 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.67 80.65 8.72 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -152.44 142.43 22.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.333 -171.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.19 -26.78 12.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.001 0.813 . . . . 0.0 112.542 -169.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -57.8 -55.53 33.69 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.17 0.509 . . . . 0.0 110.822 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m -62.16 -35.38 78.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.29 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -57.71 10.96 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.784 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.9 m -64.66 -32.89 74.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.771 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.02 -48.97 79.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.437 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.69 -38.35 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.939 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.89 -49.73 73.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.268 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 t -56.61 -49.29 75.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.125 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.34 -47.59 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 111.139 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.52 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.7 m-30 -63.26 -27.68 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.802 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -78.4 -37.72 43.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.61 -27.93 68.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.3 mtp -92.28 6.91 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.774 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.579 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER 50.75 47.36 24.63 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.22 -176.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.463 HD22 HD23 ' A' ' 68' ' ' LEU . 8.0 mt -117.59 -20.51 8.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 63.9 t80 -139.38 138.54 36.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.771 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -116.31 138.36 51.38 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.14 -21.37 66.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.978 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.8 m -99.46 -63.17 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.99 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.72 -14.23 60.33 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 -152.45 25.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.599 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.52 123.86 13.56 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.993 2.462 . . . . 0.0 111.917 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -85.63 90.25 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 81.9 t -49.15 -46.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 114.779 -1.101 . . . . 0.0 112.765 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.16 -50.39 73.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.58 0.229 . . . . 0.0 111.384 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.24 -34.91 79.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.314 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.463 HD23 HD22 ' A' ' 56' ' ' LEU . 17.6 mt -59.95 -44.92 94.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.076 178.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' VAL . 92.0 t -67.83 -44.37 85.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 176.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -63.31 -25.67 68.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.922 0.391 . . . . 0.0 111.279 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -90.42 -60.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.714 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 81.5 mt -62.2 -43.68 98.28 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.387 -175.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.56 33.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.0 t-80 -70.15 87.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.995 0.426 . . . . 0.0 110.171 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.53 11.03 49.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.332 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.406 ' HD2' HD13 ' A' ' 115' ' ' LEU . 61.9 mtt180 -131.94 168.37 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.467 0.175 . . . . 0.0 110.717 -177.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.79 115.68 6.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.369 0.604 . . . . 0.0 110.991 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.45 77.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.43 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.79 -43.43 88.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.132 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.42 -49.31 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.188 0.518 . . . . 0.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.53 -49.63 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.475 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -53.01 -42.01 65.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 110.853 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -62.95 -55.14 28.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.482 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.31 -33.62 76.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.908 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 89' ' ' VAL . 26.0 t -60.63 -50.3 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.642 0.258 . . . . 0.0 110.818 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 mt -56.78 -32.37 65.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.871 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -70.34 -18.64 63.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.527 . . . . 0.0 110.718 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.7 m -103.79 -9.57 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.2 t -73.25 99.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.75 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -104.71 174.08 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.14 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -101.44 159.73 15.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.446 . . . . 0.0 110.587 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.9 t30 -78.11 65.0 3.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.428 0.633 . . . . 0.0 110.173 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.9 p -68.12 -36.21 79.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.57 -176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.18 -5.71 58.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.365 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.433 HD22 ' N ' ' A' ' 95' ' ' ASN . 0.9 OUTLIER 65.97 37.91 5.17 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.647 174.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.62 121.97 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 173.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.67 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.249 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.69 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.174 0.512 . . . . 0.0 110.082 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -75.47 -27.61 58.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.556 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.487 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.1 t90 -73.66 -52.71 12.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.772 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.03 90.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -66.89 -29.12 68.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.433 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -67.14 -44.26 80.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.63 -46.55 93.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.92 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.7 -49.37 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.75 -44.76 90.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.474 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.61 -44.15 97.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.431 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -75.37 -46.74 31.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.916 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.85 -14.77 62.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.765 0.317 . . . . 0.0 111.535 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -68.02 -23.37 64.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -127.67 -30.96 2.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.467 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -129.5 60.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.171 -172.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.3 tp -81.0 -30.39 35.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.971 0.415 . . . . 0.0 110.736 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 p -63.31 -32.25 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.406 HD13 ' HD2' ' A' ' 76' ' ' ARG . 49.7 tp -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.46 . . . . 0.0 110.242 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.52 -35.9 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.427 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -72.45 -30.24 64.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.98 -33.29 30.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.538 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 41.7 p -63.92 -30.47 71.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 0.0 111.836 -176.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.7 pt -93.59 -3.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.1 tttm . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.134 177.903 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 120.728 0.299 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.7 p -82.32 174.47 11.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.565 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.45 -41.23 76.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.655 0.264 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.82 -49.45 77.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.734 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -61.55 -39.67 91.94 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.943 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.558 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 63.4 tp -62.57 -40.5 97.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.811 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.14 -31.05 71.48 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.098 0.475 . . . . 0.0 110.45 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 77.5 ttt180 -68.48 -47.83 66.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.083 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.09 -34.54 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 14.3 mtt180 -57.3 -50.35 73.19 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -59.21 -44.83 92.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.791 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 5.8 mm-40 -64.89 -32.39 74.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.096 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.34 -29.62 30.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.849 0.357 . . . . 0.0 111.079 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 t -68.96 -50.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.07 0.462 . . . . 0.0 110.503 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -62.17 -37.08 83.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.768 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 p -81.42 -46.55 14.44 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 122.293 -0.255 . . . . 0.0 111.679 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.67 9.44 9.57 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.3 m120 54.58 39.16 30.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.368 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.38 123.57 88.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.461 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -60.47 141.88 96.58 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.932 2.421 . . . . 0.0 112.167 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.05 65.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.604 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.96 -50.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.925 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -59.09 -36.8 75.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.347 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -57.83 -41.71 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -64.51 -31.48 72.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.09 -54.7 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.23 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -56.99 -38.57 73.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.322 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -63.0 -21.66 66.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' ' OE2' ' A' ' 36' ' ' GLU . 36.3 mtmm -110.37 20.8 17.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.089 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.6 m95 59.03 47.67 11.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.172 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.455 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 49.9 mt-10 -121.47 109.66 15.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.93 0.395 . . . . 0.0 110.145 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -115.58 100.0 53.09 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -64.17 145.65 89.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.556 2.171 . . . . 0.0 112.357 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.77 79.44 9.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.841 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.628 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.4 OUTLIER -150.82 157.88 43.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.25 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -52.8 -40.12 62.98 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -172.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -57.44 -56.52 20.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.1 0.476 . . . . 0.0 111.094 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 m -60.59 -35.44 76.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.25 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -61.8 -54.28 44.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.51 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.41 ' CA ' ' HB3' ' A' ' 98' ' ' CYS . 2.1 t -75.89 -21.38 57.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.725 -175.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -58.92 -47.48 84.89 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.05 -36.76 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.617 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 4.8 tmmm? -60.08 -54.31 47.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.189 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -56.93 -47.61 80.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.479 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.99 -49.43 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.48 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.8 m-30 -64.49 -25.86 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.979 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -78.15 -40.4 38.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.95 -22.09 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.996 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.45 2.54 55.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.475 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 58.25 45.75 16.77 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.23 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 6.9 mt -123.35 -17.96 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 111.326 -175.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.48 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.5 t80 -137.33 140.2 41.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.925 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 29.4 t70 -119.16 138.8 52.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.75 -10.83 60.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.651 -175.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.491 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 52.3 m -101.83 -65.09 1.0 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.527 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.14 -12.48 60.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.63 -151.29 24.01 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.021 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.07 123.17 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.788 2.325 . . . . 0.0 111.529 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.6 mt -83.78 89.6 7.2 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -51.4 -37.52 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.46 -174.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.16 -55.08 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.312 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -64.39 -34.36 77.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.369 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -59.9 -43.97 94.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.729 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 65' ' ' VAL . 90.6 t -69.33 -41.93 81.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.863 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -62.58 -25.04 67.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.222 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -90.28 -60.41 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.397 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.624 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 95.2 mt -64.39 -45.5 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.542 -174.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.91 26.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -174.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.43 92.27 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.86 19.67 16.67 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.366 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -146.68 167.12 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.468 0.175 . . . . 0.0 110.543 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.98 105.93 0.95 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.797 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.04 -32.43 64.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.995 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.69 -49.47 76.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.928 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.09 -42.96 72.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.645 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.37 -47.9 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.544 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -55.8 -43.3 76.72 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.651 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.8 m -61.2 -53.29 58.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.224 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.97 -40.16 92.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.822 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 89' ' ' VAL . 29.0 t -59.26 -48.98 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.626 0.25 . . . . 0.0 110.78 175.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.59 -30.39 68.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -65.7 -18.48 65.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.156 0.503 . . . . 0.0 110.737 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 35.7 m -105.32 -7.25 18.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.684 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 85' ' ' VAL . 39.9 t -95.74 110.37 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.275 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -146.49 -175.11 4.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.624 174.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -65.09 150.16 48.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -167.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -82.7 81.96 8.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.561 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.1 p -84.37 -9.86 58.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.209 0.528 . . . . 0.0 110.529 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.61 -20.73 46.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.259 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.75 20.07 11.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.037 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -147.45 127.31 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.15 -28.29 66.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -173.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 38.8 m -63.36 -39.96 95.96 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -71.98 -44.89 62.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.11 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -62.63 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.23 -173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.01 88.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.731 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 86.7 t80 -65.61 -31.38 72.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -66.76 -44.08 82.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.62 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.05 -44.51 87.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.702 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.45 -46.34 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.801 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -60.1 -41.62 92.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.314 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -63.1 -45.92 89.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.353 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -74.22 -46.59 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.344 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -66.12 -12.28 54.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.97 -37.9 89.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.79 -17.23 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.327 -176.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -127.27 58.8 1.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.664 0.268 . . . . 0.0 111.379 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 tp -86.05 -35.48 20.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.321 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.1 m -61.25 -33.52 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.87 -42.46 94.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.165 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 84.1 mt -59.99 -43.34 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.526 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.4 mttt -64.12 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.978 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.76 -23.43 49.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.037 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 39.9 m -67.2 -36.88 82.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.726 0.298 . . . . 0.0 111.506 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 36.6 pt -91.66 2.78 7.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 111.142 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.324 -177.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.1 p -83.33 -173.37 4.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.635 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.0 m -58.64 -41.23 85.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.433 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.83 -44.56 96.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.72 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.28 -39.38 86.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 59.1 tp -62.14 -34.24 76.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.962 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -63.85 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.655 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 67.4 ttt180 -70.98 -63.22 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.337 177.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.58 -39.63 70.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.408 -173.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.32 -36.33 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.819 -176.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.4 m -71.37 -46.46 60.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.984 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 12.0 mt-10 -60.73 -35.85 77.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.427 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.9 m -71.54 -34.28 69.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.595 0.236 . . . . 0.0 110.691 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.52 -51.22 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.541 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -61.77 -39.82 92.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.596 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 m -75.57 -43.78 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -84.99 12.47 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 54.64 37.92 29.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.108 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.28 119.07 69.8 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.263 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -62.94 144.01 92.38 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.806 2.337 . . . . 0.0 111.847 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -53.44 -32.14 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.34 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.52 -53.96 39.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.383 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -61.84 -36.33 80.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.63 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.23 -39.91 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.357 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 5.0 mm-40 -58.65 -38.2 77.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.973 0.416 . . . . 0.0 110.37 176.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -67.71 -46.61 71.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -63.36 -19.61 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.614 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -79.51 -10.62 59.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.196 0.522 . . . . 0.0 110.249 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -116.03 22.9 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 55.33 36.04 26.22 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.97 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -107.36 110.18 22.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.526 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.99 91.3 39.36 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.672 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.24 147.65 93.71 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.442 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.15 87.11 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.73 0.776 . . . . 0.0 110.925 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.608 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.2 t70 -146.44 145.1 30.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.812 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.24 -26.31 60.54 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.675 0.609 . . . . 0.0 111.374 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.457 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.9 m -57.63 -37.57 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.571 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -65.36 -48.99 71.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -173.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -20.65 52.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.543 -177.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -59.88 -48.23 82.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 170.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.43 -38.63 78.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.514 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.5 -52.11 67.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.771 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.6 t -59.14 -48.2 82.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.505 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.75 -47.92 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.22 0.533 . . . . 0.0 110.855 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -65.22 -25.68 67.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.785 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.55 -43.28 39.68 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.411 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -75.02 -23.91 58.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.8 mtp -86.86 3.95 43.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 55.95 44.06 26.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.926 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD22 HD23 ' A' ' 68' ' ' LEU . 7.3 mt -117.6 -18.85 9.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.868 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -137.42 134.58 36.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.548 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.68 137.08 51.5 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.12 -24.08 67.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.928 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.2 m -95.71 -64.07 1.09 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.851 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.91 -13.87 60.26 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.96 -148.59 22.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.165 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.43 123.96 11.47 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.454 2.103 . . . . 0.0 111.96 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -83.55 96.47 8.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.4 t -50.22 -46.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.759 -174.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.69 -51.78 67.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.663 0.268 . . . . 0.0 111.331 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.01 -37.48 77.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.233 0.54 . . . . 0.0 109.987 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD22 ' A' ' 56' ' ' LEU . 21.1 mt -63.02 -43.48 98.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.185 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 65' ' ' VAL . 98.6 t -69.38 -42.99 81.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 111.427 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -90.85 -57.4 2.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.123 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 74' ' ' HIS . 83.9 mt -63.75 -44.55 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.71 34.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 72' ' ' LEU . 18.7 t60 -65.86 90.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.305 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.43 28.91 31.61 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.33 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -147.22 166.54 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.605 0.24 . . . . 0.0 111.114 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -59.04 105.1 0.29 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.309 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.785 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.5 -47.51 81.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.081 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.13 -48.75 64.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.1 t -54.45 -45.98 70.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.482 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -54.29 -46.67 72.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 111.326 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 m -66.34 -53.1 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.153 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.0 -33.09 71.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.858 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.74 -51.01 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.63 0.252 . . . . 0.0 110.886 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.3 mt -56.56 -31.99 64.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.802 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -73.11 -7.82 53.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 110.952 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.37 -12.56 14.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.11 106.44 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.006 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -122.16 175.65 6.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -85.41 156.7 20.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.545 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -78.59 84.1 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.749 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.2 p -83.24 -25.24 31.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.454 ' OD1' ' HB3' ' A' ' 96' ' ' ASN . 4.6 p-10 -85.95 -10.05 55.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.448 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 67.09 24.16 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.669 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.454 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 18.4 t-20 -130.06 120.76 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.698 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 45.5 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.094 0.474 . . . . 0.0 109.734 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -76.66 -32.79 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.818 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -61.09 -52.32 65.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.91 90.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.497 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 84.9 t80 -67.66 -31.25 71.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -66.06 -44.42 84.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.374 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.24 95.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.807 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 110.861 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -65.54 -40.59 93.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.162 -176.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -62.35 -41.91 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 111.157 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.3 t80 -75.9 -50.93 13.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.089 -173.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.41 -23.99 66.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -61.45 -29.7 70.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.852 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -119.33 -26.8 5.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -134.48 65.41 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.638 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.4 tp -86.52 -29.94 22.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 0.0 110.759 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 m -61.88 -38.46 88.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.67 -34.21 77.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.399 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.78 -40.18 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.393 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.15 -46.14 82.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.034 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.29 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.023 0.439 . . . . 0.0 111.343 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.1 t -54.61 -46.08 73.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.628 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.0 pt -90.42 -1.3 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.545 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 tttp . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 178.442 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 120.577 0.227 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.3 p -79.46 178.87 7.8 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.296 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -52.88 -48.7 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 111.536 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.7 -40.79 98.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -65.2 -38.88 91.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.277 0.56 . . . . 0.0 109.936 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.8 tp -63.95 -33.28 75.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.979 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.97 -30.48 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -63.74 -57.06 11.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.888 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -64.8 -39.0 92.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.405 HH22 ' CA ' ' A' ' 33' ' ' LYS . 1.4 ttt180 -64.8 -38.79 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.4 -175.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -67.47 -41.8 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.931 0.396 . . . . 0.0 110.647 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.67 -49.22 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.247 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.2 m -64.79 -35.94 82.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.04 -49.81 83.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.135 0.493 . . . . 0.0 110.432 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -64.39 -37.6 88.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.938 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -77.0 -48.21 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.629 0.252 . . . . 0.0 111.414 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.28 10.43 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.6 m120 54.98 40.14 31.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.101 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -67.78 121.7 80.57 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.05 141.97 97.42 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.212 2.608 . . . . 0.0 111.936 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.43 -32.82 65.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.052 -0.977 . . . . 0.0 111.44 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -54.12 -52.27 61.59 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.487 0.492 . . . . 0.0 110.954 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -60.69 -38.38 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.34 -42.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.441 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 10.8 mt-10 -62.25 -38.62 89.98 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.728 0.299 . . . . 0.0 110.224 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.52 -48.55 79.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.447 ' CE2' HG23 ' A' ' 43' ' ' THR . 15.5 m-85 -61.91 -22.6 65.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.191 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' CA ' HH22 ' A' ' 15' ' ' ARG . 24.3 ttmm -74.76 -28.93 60.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.045 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -104.53 29.6 6.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.7 m95 51.7 52.99 13.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.374 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.08 114.08 15.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.037 0.446 . . . . 0.0 110.397 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -120.23 91.35 46.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.273 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -59.36 141.06 97.1 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.54 2.16 . . . . 0.0 112.307 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -73.97 92.57 2.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.223 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -155.1 149.27 25.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -50.17 -45.23 53.19 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.303 0.377 . . . . 0.0 111.74 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.5 m -51.88 -54.15 32.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.718 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.447 HG23 ' CE2' ' A' ' 32' ' ' PHE . 24.5 m -60.58 -33.57 72.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.075 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.9 mtt -69.42 -50.26 47.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.42 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.4 m -64.81 -29.73 70.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.633 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -60.85 -51.18 70.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.183 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.49 -37.77 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.69 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.39 -53.34 59.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.673 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.05 -46.04 86.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.382 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.12 -50.24 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -64.68 -26.26 68.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.98 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.82 -41.82 35.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.16 -22.8 54.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.354 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 83.6 mtp -82.34 -2.55 53.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 59.82 48.46 9.03 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.024 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 68' ' ' LEU . 7.2 mt -124.17 -18.88 5.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.911 -176.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.2 t80 -141.11 137.64 32.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.303 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.514 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 31.0 t70 -122.72 142.77 50.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.376 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -74.03 -11.94 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.763 0.316 . . . . 0.0 111.229 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.514 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 51.7 m -99.33 -63.99 1.08 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.26 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -79.38 -15.47 57.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.881 -175.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.91 -151.24 25.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.537 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -59.08 121.37 9.82 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.175 2.583 . . . . 0.0 111.704 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 mt -82.24 89.34 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.832 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.0 t -48.95 -46.3 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.753 -173.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.98 -51.86 67.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.591 0.234 . . . . 0.0 111.539 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.54 -34.64 78.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.285 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 56' ' ' LEU . 18.4 mt -62.17 -47.64 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.506 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.436 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 94.7 t -68.06 -42.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.69 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -59.94 -29.82 68.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -88.96 -60.41 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.258 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 74' ' ' HIS . 85.0 mt -63.53 -41.03 98.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.31 33.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.99 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.6 t-80 -71.97 83.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.723 178.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.37 33.81 6.08 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.217 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' HD2' HD13 ' A' ' 115' ' ' LEU . 32.1 mtt180 -152.47 171.37 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.275 0.23 . . . . 0.0 110.715 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.64 107.51 2.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.471 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.78 68.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.048 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.8 -41.7 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.054 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -65.55 -45.0 85.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 0.0 110.001 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.71 -47.58 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.318 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -50.95 -45.94 60.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.035 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.2 m -65.11 -52.31 56.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -58.37 -40.14 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.643 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.7 t -60.02 -50.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.576 0.227 . . . . 0.0 110.963 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.44 -32.44 66.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.623 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.23 -8.55 55.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.7 m -113.05 -7.2 13.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.591 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.3 t -79.91 130.57 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.682 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.29 168.98 17.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.113 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -92.4 163.41 13.87 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.371 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 63.1 t30 -79.96 61.98 4.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.409 0.623 . . . . 0.0 111.332 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.6 p -87.86 -5.14 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.647 0.737 . . . . 0.0 109.107 172.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -82.0 -22.74 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.619 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.85 19.91 11.35 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.181 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -147.67 121.87 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.845 0.355 . . . . 0.0 110.066 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.07 -32.73 74.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.251 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.8 m -62.32 -45.74 91.88 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.872 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -80.88 -26.23 37.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.306 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.7 t90 -63.31 -52.83 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.986 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -64.91 -40.74 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.905 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 82.3 t80 -65.6 -32.95 74.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.197 -177.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.6 -37.04 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.0 -44.68 95.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.375 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.54 -47.57 75.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.717 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -62.23 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.24 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.98 -45.49 94.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.435 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 34.2 t80 -72.8 -49.42 30.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.953 -174.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.61 -22.73 67.05 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.782 0.325 . . . . 0.0 111.43 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.028 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -18.61 3.71 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.262 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -135.32 63.23 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.191 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.1 tp -85.94 -32.76 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -64.49 -32.24 73.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.908 0.385 . . . . 0.0 110.183 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 76' ' ' ARG . 53.9 tp -67.76 -36.17 80.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.052 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.439 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.6 mttt -64.9 -46.29 82.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.785 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -17.66 60.94 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.828 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.2 t -69.24 -40.52 77.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.946 0.403 . . . . 0.0 110.675 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.4 pt -95.41 -7.57 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.0 tptp . . . . . 0 N--CA 1.444 -0.749 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.239 -177.758 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -96.7 170.04 9.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.389 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -55.73 -49.83 72.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.01 -40.71 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -30.24 38.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.212 0.53 . . . . 0.0 110.637 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.29 -31.4 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.049 174.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.23 -25.5 66.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.562 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 30.9 ttm180 -66.88 -52.96 37.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.759 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.75 -41.92 96.37 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -37.46 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.605 -178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -64.87 -51.4 62.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.397 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 10.7 mt-10 -59.81 -39.47 85.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.364 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.35 -34.08 70.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.31 -49.82 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.432 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t -70.95 -20.2 62.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.93 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.2 p -90.36 -47.39 7.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.388 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.09 10.04 5.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.282 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 55.62 34.27 22.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.369 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.04 118.34 45.06 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.497 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.5 142.83 96.42 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.939 2.426 . . . . 0.0 111.791 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -27.25 56.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.253 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.01 -55.54 19.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.023 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.2 m-85 -64.53 -37.95 89.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.251 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.67 -41.79 83.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -35.79 80.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.14 -46.17 82.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.718 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 12.5 m-85 -59.08 -29.31 67.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -63.56 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -100.02 23.52 9.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.7 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.6 m95 50.0 42.99 25.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.23 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -111.02 109.63 19.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.831 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -114.97 92.62 31.4 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.289 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.91 146.94 76.72 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.503 2.135 . . . . 0.0 112.34 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -80.03 75.58 6.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.671 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.603 ' O ' ' HG3' ' A' ' 44' ' ' MET . 19.9 t70 -144.28 147.41 33.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.966 -174.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.89 -47.36 11.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.822 0.701 . . . . 0.0 111.973 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.9 m -51.69 -57.39 9.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.641 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 m -59.47 -34.23 72.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.296 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.4 mtt -67.27 -50.42 60.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.419 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.3 m -64.91 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.671 0.272 . . . . 0.0 110.412 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -60.03 -51.7 68.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.182 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.14 -39.3 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.79 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 48' ' ' LYS . 12.9 tmtt? -61.95 -52.51 63.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.255 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.9 t -55.26 -47.08 75.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.09 -46.38 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 111.329 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.5 -26.77 68.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.765 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.11 -38.04 37.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -62.78 -37.48 86.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.739 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 72.6 mtp -86.93 8.0 24.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.328 -176.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 52.11 46.75 26.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD22 HD23 ' A' ' 68' ' ' LEU . 7.5 mt -116.36 -16.13 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.812 -174.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -142.12 130.48 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.74 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -111.93 146.96 36.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.121 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.62 -18.96 65.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.993 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.4 m -102.58 -65.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.825 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -70.36 -21.25 62.9 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.1 -135.89 13.93 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.644 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.8 122.72 10.39 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.278 1.985 . . . . 0.0 111.939 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -82.42 90.96 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.874 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.9 t -50.8 -45.62 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.584 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.83 -52.26 65.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.653 0.263 . . . . 0.0 111.344 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -64.32 -33.01 74.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.39 . . . . 0.0 110.386 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 56' ' ' LEU . 18.0 mt -62.53 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.056 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 65' ' ' VAL . 87.2 t -66.1 -45.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.852 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -58.73 -30.82 67.76 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.094 0.474 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -85.63 -60.41 2.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.002 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.689 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 94.5 mt -66.77 -41.44 87.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.701 -173.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.56 32.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 72' ' ' LEU . 36.4 t-80 -74.02 85.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.71 23.07 10.34 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.594 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HD2' HD13 ' A' ' 115' ' ' LEU . 34.4 mtt180 -146.0 165.87 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 111.321 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.29 108.12 0.75 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.22 66.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.443 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.14 -46.72 85.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.29 -42.25 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 0.0 110.364 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.51 -48.02 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.4 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -53.2 -45.74 68.71 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 121.032 0.444 . . . . 0.0 110.379 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 9.9 m -60.13 -52.17 66.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -54.29 -44.22 71.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.36 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.6 t -59.28 -51.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.04 -25.08 66.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.779 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 83' ' ' THR . 30.0 mtpp -78.62 -6.72 56.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.314 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -117.56 -8.27 10.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.01 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 85' ' ' VAL . 95.8 t -75.24 112.81 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.76 174.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -131.96 179.46 6.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.189 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -87.41 155.97 19.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.868 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.433 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -83.93 64.53 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.652 177.604 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 t -63.46 -15.74 58.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.501 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -89.53 -9.85 48.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.196 0.522 . . . . 0.0 110.755 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.29 44.8 26.84 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.724 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.44 121.64 6.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.703 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.64 73.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.0 m -62.49 -41.04 98.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -82.8 -24.89 33.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.204 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.433 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 8.9 t90 -73.14 -53.23 11.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.515 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.92 81.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 74.0 t80 -68.46 -31.09 70.14 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.591 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -65.03 -45.9 83.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.958 0.409 . . . . 0.0 110.043 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.42 -46.02 94.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.89 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -64.14 -47.52 79.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -60.55 -44.09 96.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.347 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.26 -43.67 98.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.455 . . . . 0.0 111.061 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 19.4 t80 -74.97 -47.99 26.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.766 -173.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.428 ' HB2' HD13 ' A' ' 113' ' ' LEU . 2.7 pp0? -69.05 -9.67 53.71 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.799 0.333 . . . . 0.0 111.376 -177.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.5 -35.01 79.21 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.004 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.24 -19.37 3.16 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.631 -176.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -123.69 51.91 1.47 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.283 . . . . 0.0 111.122 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.428 HD13 ' HB2' ' A' ' 109' ' ' GLN . 56.8 tp -83.0 -32.44 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -62.93 -33.38 75.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 76' ' ' ARG . 56.4 tp -65.29 -40.61 94.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 176.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.36 -40.6 88.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.91 -30.01 70.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.814 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.05 -30.91 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.22 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.689 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 15.9 m -60.47 -36.17 77.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.427 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 pt -97.28 1.63 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.793 -179.564 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.767 0.318 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.0 p -76.81 179.66 5.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.44 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 86.2 m -49.82 -48.19 50.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.5 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.697 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.58 -43.25 97.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.19 -38.21 90.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.078 -177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 8' ' ' THR . 80.3 mm-40 -67.2 -27.66 67.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.91 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.691 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 77.1 ttt180 -67.65 -60.32 2.64 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.013 174.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.16 -37.99 72.89 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.017 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.887 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -65.95 -47.42 74.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.761 0.315 . . . . 0.0 111.2 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 16.1 mt-10 -63.21 -34.85 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.709 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.524 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 85.3 m -69.76 -34.59 73.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.767 0.318 . . . . 0.0 110.394 174.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.29 -50.67 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 121.072 0.463 . . . . 0.0 110.427 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 t -65.56 -28.73 69.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.2 t -83.44 -50.02 8.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.686 0.279 . . . . 0.0 111.5 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -81.62 10.35 6.16 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 m120 55.82 34.66 23.91 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.0 mm -64.47 121.14 70.95 Favored Pre-proline 0 N--CA 1.452 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.44 142.48 97.93 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.036 2.491 . . . . 0.0 112.05 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.35 -30.24 66.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.38 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -62.87 -42.01 99.6 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.972 0.17 . . . . 0.0 110.653 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -61.68 -38.55 88.22 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.691 0.281 . . . . 0.0 111.137 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.21 -41.76 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 17.7 mt-10 -63.01 -35.65 80.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.407 176.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.98 -50.19 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.304 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -60.4 -23.32 64.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.226 -179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -69.65 -28.9 66.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.412 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -104.75 27.63 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.814 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 50.45 46.16 25.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.979 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.05 109.37 18.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.695 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -114.2 97.77 46.53 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.642 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.94 140.59 93.62 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.516 2.144 . . . . 0.0 112.502 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.86 80.4 8.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.591 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.562 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.196 -176.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.8 -44.39 49.12 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -52.52 -60.96 2.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 111.414 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 m -61.14 -33.26 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.567 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -66.4 -51.37 57.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.512 -176.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.95 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.365 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.4 t80 -60.17 -50.71 72.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.649 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.6 -38.92 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.02 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HD2' ' HB1' ' A' ' 97' ' ' ALA . 9.4 ttpt -63.1 -49.5 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.261 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 t -56.38 -48.29 77.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.361 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 46' ' ' TYR . 94.9 t -62.69 -47.13 94.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -67.89 -28.37 67.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.858 -177.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 3.4 t-20 -77.54 -38.48 48.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.291 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.524 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 25.4 mtpp -71.36 -28.91 64.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.948 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.423 ' HE3' HD12 ' A' ' 56' ' ' LEU . 50.9 mtm -83.8 4.19 30.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.777 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 57.59 31.34 20.2 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.331 0.586 . . . . 0.0 111.735 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD22 HD23 ' A' ' 68' ' ' LEU . 7.3 mt -103.75 -18.62 14.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.693 0.758 . . . . 0.0 109.997 -176.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 52' ' ' ASN . 67.8 t80 -144.13 127.29 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.751 176.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -98.25 140.68 32.19 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.43 -9.45 34.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.398 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -121.79 -57.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.828 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.83 -4.99 49.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.41 -157.31 42.29 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.535 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -63.38 122.3 10.41 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.383 2.722 . . . . 0.0 112.46 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -85.48 97.28 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.2 t -51.24 -45.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.829 -174.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.54 -52.21 66.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.51 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.67 -33.53 74.14 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.178 0.513 . . . . 0.0 110.166 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.425 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -62.96 -41.09 99.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.443 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.5 t -72.36 -41.3 65.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.86 0.362 . . . . 0.0 111.031 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -64.63 -26.85 68.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -90.6 -60.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 81.5 mt -61.32 -45.45 94.39 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.15 34.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 72' ' ' LEU . 55.6 t-80 -62.38 89.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.391 0.676 . . . . 0.0 110.462 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.76 30.4 35.87 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.358 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 76' ' ' ARG . 30.7 mtt180 -147.33 167.62 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.797 -0.237 . . . . 0.0 111.348 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.8 m-20 -57.97 101.47 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.969 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.32 91.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.096 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.45 -46.6 88.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.131 0.491 . . . . 0.0 110.869 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 38.1 mt-10 -69.27 -40.1 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 85' ' ' VAL . 61.6 t -56.58 -51.37 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -49.84 -46.24 51.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.6 m -58.55 -50.91 72.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.117 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 23.0 mt-10 -64.76 -30.28 71.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -75.65 -33.17 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.789 177.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.93 -29.9 70.4 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 61.8 pttt -77.92 -7.82 57.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.103 0.478 . . . . 0.0 110.368 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 m -105.16 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.226 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 85' ' ' VAL . 87.1 t -71.97 130.83 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 175.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -144.89 160.01 41.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -71.68 157.74 37.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.517 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -83.74 59.48 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.505 0.669 . . . . 0.0 110.697 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -83.72 -5.83 59.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.557 0.694 . . . . 0.0 109.564 173.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -80.71 -25.51 38.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.658 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.33 33.49 16.42 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.948 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -152.91 118.65 5.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 48' ' ' LYS . . . -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -171.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.03 -44.46 96.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.709 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.647 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.9 t-160 -78.78 -29.17 44.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.411 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -61.6 -54.08 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -66.34 -29.49 69.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.707 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.647 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 57.0 mtp180 -67.7 -45.29 75.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.408 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.75 -44.89 96.82 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.768 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -65.77 -46.29 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.692 0.282 . . . . 0.0 110.74 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -63.5 -41.95 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.158 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.69 -44.88 96.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.897 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -74.35 -47.67 32.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.237 -173.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -68.75 -11.89 60.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.615 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -77.5 -26.73 51.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.016 0.436 . . . . 0.0 110.382 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -117.17 -27.54 6.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -139.74 66.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.523 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.3 tp -81.47 -26.72 35.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.977 0.418 . . . . 0.0 110.61 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.0 m -66.35 -36.53 83.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.1 tp -66.96 -35.17 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 82.7 mt -66.08 -45.19 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.247 178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.32 -36.08 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.013 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.34 59.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.121 -177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 94.1 p -65.37 -29.72 70.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.507 -176.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.2 pt -98.46 6.63 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.975 0.417 . . . . 0.0 111.192 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.1 tptt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.103 178.482 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.4 p -81.59 -178.19 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.314 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -54.61 -37.69 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.264 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.52 -46.66 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.979 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.69 -39.88 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 109.697 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.707 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 65.7 tp -60.95 -45.07 96.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -61.1 -31.9 71.58 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 0.0 110.636 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -65.63 -44.27 86.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.379 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -69.77 -37.37 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.707 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 47.5 mtm180 -62.56 -33.87 75.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.694 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -67.19 -41.45 85.84 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.662 0.267 . . . . 0.0 110.879 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.74 -35.84 81.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.3 m -72.85 -34.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.788 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.71 -53.48 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -65.94 -19.71 65.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.513 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 t -90.26 -47.61 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.23 14.43 9.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 55.54 39.15 30.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.493 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.0 mm -73.45 119.93 78.44 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.736 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.86 145.87 94.78 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.829 2.353 . . . . 0.0 111.923 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.53 -32.0 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.513 -177.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -52.07 -49.89 62.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.504 0.502 . . . . 0.0 110.702 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.17 -42.02 89.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.249 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.43 -38.36 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.474 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.0 mt-10 -62.97 -38.26 90.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.123 0.487 . . . . 0.0 110.298 175.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.06 -45.97 83.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.158 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -59.22 -33.53 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.97 -16.47 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -115.5 24.23 11.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.544 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 48.44 48.34 19.33 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.868 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.89 109.78 15.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.403 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -115.32 98.7 51.17 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.734 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.83 141.33 95.78 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.624 2.216 . . . . 0.0 112.508 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -89.12 79.73 7.12 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.559 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.9 OUTLIER -155.51 160.78 40.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.627 178.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -51.14 -36.51 41.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -172.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -56.08 -59.88 4.29 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.667 0.27 . . . . 0.0 111.347 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.4 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -66.71 -47.55 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.57 -174.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.06 -30.58 69.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.777 0.322 . . . . 0.0 110.203 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.489 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 33.8 t80 -60.44 -50.58 73.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.32 -40.18 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -60.34 -51.97 67.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 110.156 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.16 -48.62 79.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.611 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.59 -43.21 98.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.53 -27.78 68.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.554 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.05 -35.01 43.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.276 0.56 . . . . 0.0 110.068 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.61 -37.42 83.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.7 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.425 ' SD ' HD13 ' A' ' 11' ' ' LEU . 98.0 mtp -85.49 1.84 47.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.255 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 60.91 54.06 3.58 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.494 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 mt -127.23 -19.4 4.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.568 -173.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -141.96 138.52 32.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 28.5 t70 -119.76 137.03 54.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.442 178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.4 -20.74 60.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.621 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.44 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 57.7 m -99.28 -65.76 0.94 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -76.26 -7.89 55.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.93 -152.81 35.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.918 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 121.33 9.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.074 2.516 . . . . 0.0 111.817 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -83.07 91.03 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.4 t -48.52 -44.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.621 -175.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.21 -54.69 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.664 0.269 . . . . 0.0 111.424 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.94 -33.05 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.06 -51.02 71.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.24 -38.9 80.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -61.0 -32.19 71.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -90.66 -57.65 2.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.988 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.727 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 91.9 mt -59.8 -42.54 93.67 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -174.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.25 34.6 0.09 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.133 0.492 . . . . 0.0 111.901 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 72' ' ' LEU . 68.8 t60 -66.35 85.77 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 29.09 23.83 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -149.25 166.46 28.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.681 0.241 . . . . 0.0 111.351 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.3 m-20 -55.49 110.37 0.69 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.405 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.17 83.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.846 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.7 -46.5 87.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.913 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.92 -45.83 89.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.192 176.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 77' ' ' ASP . 91.9 t -59.36 -48.29 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.562 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -56.24 -44.47 79.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -60.63 -53.46 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.056 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -55.5 -42.99 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.567 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.3 t -57.59 -51.43 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.816 0.341 . . . . 0.0 111.002 176.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.44 -30.34 70.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.44 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -74.23 -4.25 34.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.803 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 m -119.96 -9.13 9.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.261 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 85' ' ' VAL . 69.4 t -75.1 123.2 30.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.954 0.406 . . . . 0.0 110.839 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -114.41 178.54 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.939 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -100.68 155.36 17.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.31 173.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.463 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 59.6 t30 -78.6 71.05 5.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 110.703 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.5 p -90.22 -9.04 49.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.046 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' CG ' HH12 ' A' ' 103' ' ' ARG . 4.3 m-20 -81.06 -18.8 45.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.902 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 61.36 23.9 14.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.472 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -146.67 107.85 4.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.441 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.98 -41.13 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.815 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -77.4 -31.08 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.463 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.4 t90 -62.6 -53.48 53.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.366 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.43 84.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 82.9 t80 -66.39 -35.87 81.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.583 -175.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 103' ' ' ARG . 31.2 ttp180 -72.32 -33.67 67.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.19 91.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.462 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -64.9 -46.97 79.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -63.38 -42.61 98.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.054 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.8 t -60.95 -45.66 93.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 110.885 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.456 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 28.4 t80 -70.41 -50.0 43.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.002 -173.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.69 -26.75 68.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 111.347 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -66.86 -23.1 65.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.048 0.451 . . . . 0.0 110.734 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -112.84 -35.96 5.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -136.61 73.65 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.969 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 tp -87.09 -32.45 19.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.752 0.311 . . . . 0.0 111.174 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -34.66 78.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.53 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.39 -38.54 91.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.983 0.42 . . . . 0.0 110.053 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.54 -42.29 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.316 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -37.91 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.586 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.27 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.727 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 17.2 m -61.52 -32.42 72.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.884 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.38 7.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 111.268 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 49.2 tttm . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 120.937 0.398 . . . . 0.0 111.077 -179.542 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 120.916 0.389 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.8 p -76.83 -173.1 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.87 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 3.3 m -56.62 -40.0 74.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.52 -50.7 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.795 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.81 -39.72 85.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 64.7 tp -62.84 -40.83 98.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.386 -178.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 8' ' ' THR . 43.0 mt-30 -69.44 -27.01 64.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.2 ttm180 -65.84 -58.01 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.469 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -60.93 -35.6 77.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 111.305 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.15 -39.49 94.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.702 -175.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 m -64.79 -43.71 92.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.349 . . . . 0.0 110.572 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 3.2 mm-40 -61.02 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.347 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.15 -32.82 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.3 -52.9 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.2 m -64.47 -31.09 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.0 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.5 m -79.87 -45.19 19.11 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.01 9.68 24.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 t30 55.37 35.72 25.59 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.131 0.491 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.64 121.74 72.31 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.469 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -60.51 139.67 87.43 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.789 2.326 . . . . 0.0 111.468 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.555 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.91 -34.27 65.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.483 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.409 ' OD1' ' HE2' ' A' ' 31' ' ' LYS . 18.6 t70 -53.83 -49.92 67.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.227 176.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -61.21 -38.97 88.51 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.537 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.75 -44.5 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.077 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -64.58 -32.77 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.989 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HE2' ' OD1' ' A' ' 27' ' ' ASP . 66.5 mttm -62.12 -52.81 62.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 174.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE1' HG23 ' A' ' 43' ' ' THR . 9.3 m-85 -59.97 -33.51 72.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.481 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -62.32 -26.54 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.751 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -107.54 32.75 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.3 m95 50.63 41.93 26.4 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -126.15 113.15 16.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.293 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -116.59 102.93 53.13 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.592 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.51 145.62 97.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.416 2.077 . . . . 0.0 112.385 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -81.45 81.38 7.59 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.271 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -148.74 146.16 27.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.985 -173.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -44.45 -47.96 9.94 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.749 0.656 . . . . 0.0 112.506 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 m -53.99 -52.93 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.564 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.492 HG23 ' CE1' ' A' ' 32' ' ' PHE . 25.1 m -60.89 -34.02 74.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.205 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 62.5 mtt -67.3 -51.81 48.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.344 -175.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -67.14 -28.52 68.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.099 -0.241 . . . . 0.0 110.82 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -61.42 -51.7 67.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.838 0.351 . . . . 0.0 110.058 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.49 -38.93 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.594 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -60.44 -53.09 61.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.379 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.639 ' SG ' ' HE2' ' A' ' 53' ' ' LYS . 16.2 t -57.01 -46.98 81.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.546 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.26 -48.02 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.744 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.67 -24.62 67.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.902 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.22 -40.14 27.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.639 ' HE2' ' SG ' ' A' ' 49' ' ' CYS . 65.1 mttm -74.71 -26.04 59.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 77.6 mtp -82.87 -0.2 47.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.805 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 57.08 50.82 11.31 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -122.92 -17.52 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.037 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -139.46 135.16 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.843 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -118.18 144.23 45.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.91 -20.87 65.14 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.5 m -99.11 -64.16 1.06 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.509 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.76 -16.44 60.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.84 -148.57 22.65 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.23 -0.985 . . . . 0.0 112.324 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.35 121.18 9.07 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.05 2.5 . . . . 0.0 111.693 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -81.38 95.82 7.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.9 t -51.17 -44.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.523 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.79 -49.54 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.325 . . . . 0.0 111.437 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -63.39 -34.57 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.167 0.508 . . . . 0.0 110.163 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.4 mt -65.24 -44.44 88.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.47 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 65' ' ' VAL . 99.1 t -68.22 -42.57 84.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.907 0.384 . . . . 0.0 110.295 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.93 -26.73 67.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.324 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -91.16 -60.71 1.83 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.023 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 96.8 mt -67.03 -41.22 86.93 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -171.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.94 34.0 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.441 ' H ' ' C ' ' A' ' 72' ' ' LEU . 26.9 t-80 -75.45 84.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.26 29.38 6.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.734 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.54 ' HD3' HD13 ' A' ' 115' ' ' LEU . 18.8 mtp180 -152.51 168.03 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.597 0.198 . . . . 0.0 110.661 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 81' ' ' VAL . 26.3 m-20 -64.16 106.27 1.04 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.089 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.14 -39.97 95.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.681 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.62 -43.16 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.109 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 77' ' ' ASP . 90.4 t -57.11 -43.7 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.07 -43.66 70.49 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -62.5 -54.75 35.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.283 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -42.7 78.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.4 t -59.15 -50.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.04 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.52 -31.83 64.5 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.747 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.91 -7.02 53.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.004 0.43 . . . . 0.0 110.939 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.0 m -113.23 -11.59 13.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.566 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.1 t -71.42 103.57 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 109.92 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.04 176.98 4.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.106 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.03 152.08 20.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.868 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -77.34 64.24 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -76.02 -19.98 58.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -83.41 -13.0 55.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 58.66 29.05 18.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.51 126.68 13.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.239 -178.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.84 -35.51 78.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.713 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.23 -41.24 98.23 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.185 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -71.42 -30.95 66.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.6 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -70.31 -52.09 25.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.721 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.59 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 87.2 t80 -64.28 -33.11 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.87 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -70.47 -36.55 73.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.301 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.37 90.45 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.33 -45.32 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -63.24 -38.64 91.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.453 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.6 t -65.52 -43.67 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.501 . . . . 0.0 111.134 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 33.8 t80 -76.62 -47.28 22.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.373 -172.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.0 -24.86 66.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.571 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -66.26 -26.01 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.938 0.399 . . . . 0.0 110.526 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -116.95 -24.7 7.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.304 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -139.74 61.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -80.99 -34.22 33.13 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.478 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 m -62.79 -34.38 77.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.089 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.54 HD13 ' HD3' ' A' ' 76' ' ' ARG . 62.3 tp -68.08 -35.57 78.4 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.59 177.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 80.7 mt -65.94 -39.66 85.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 110.333 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.71 -46.38 79.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.717 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.74 74.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.1 t -54.5 -47.46 73.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.483 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.38 -0.08 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.508 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.5 tptt . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 121.0 0.428 . . . . 0.0 110.971 -175.315 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -79.35 177.12 9.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.518 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.0 m -53.13 -47.11 68.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.603 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.84 -41.18 99.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -63.4 -39.29 94.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.072 0.463 . . . . 0.0 109.774 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -64.61 -37.19 86.7 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.943 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -70.72 -24.04 62.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.271 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -70.07 -52.77 21.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.98 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -62.75 -38.97 92.64 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.851 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -59.06 -43.09 91.69 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.044 0.449 . . . . 0.0 110.035 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.0 m -61.71 -51.33 68.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -40.53 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -176.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -65.27 -33.93 77.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.559 0.219 . . . . 0.0 110.911 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -65.8 -54.18 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -65.5 -22.02 66.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.603 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 t -87.87 -48.19 8.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.6 11.42 8.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m120 57.33 32.92 22.54 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.406 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.64 120.68 67.87 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.651 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.55 140.44 93.95 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.796 2.33 . . . . 0.0 111.958 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.61 58.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.94 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -57.11 -49.27 76.42 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.464 0.477 . . . . 0.0 111.145 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -61.01 -35.78 77.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.73 -43.26 87.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.204 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.52 -36.11 77.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 110.648 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.02 -53.62 50.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 178.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -59.89 -32.0 70.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.874 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.25 -30.18 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.525 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -104.19 16.89 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.5 m95 56.28 44.4 24.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -109.75 109.37 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.518 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -115.83 97.58 49.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.569 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -64.3 146.4 90.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.544 2.163 . . . . 0.0 111.928 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.39 80.94 3.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.452 0.644 . . . . 0.0 109.461 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.66 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -141.96 150.24 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.161 -177.445 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.49 -42.31 67.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.222 0.326 . . . . 0.0 111.789 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.3 m -57.03 -56.59 19.77 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.467 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.3 m -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.66 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.3 mtt -65.38 -49.72 68.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.297 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.5 m -66.78 -29.91 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.729 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.21 -47.48 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.333 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.97 -38.47 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.633 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -59.7 -52.16 66.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -58.96 -47.29 85.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.06 -48.81 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.385 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.492 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.3 m-30 -62.69 -29.05 70.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 110.854 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -78.85 -38.33 38.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.264 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -70.07 -27.4 64.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.646 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.6 mtp -87.49 2.59 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.55 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 54.92 35.56 24.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.945 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.431 HD22 HD23 ' A' ' 68' ' ' LEU . 7.1 mt -106.61 -15.66 14.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.522 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.492 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.2 t80 -136.86 134.31 36.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.492 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -113.08 142.78 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.834 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -66.68 -19.48 65.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.841 -174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -109.22 -56.76 2.25 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.604 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.9 -15.42 57.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.644 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.49 -149.8 27.76 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.206 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.76 123.57 13.55 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.956 2.437 . . . . 0.0 111.885 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.6 93.0 8.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -54.03 -35.68 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.016 -174.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.24 -56.36 22.52 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.902 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -59.79 -37.39 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.182 0.515 . . . . 0.0 110.297 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 HD22 ' A' ' 56' ' ' LEU . 18.2 mt -63.04 -45.9 90.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.806 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 65' ' ' VAL . 89.6 t -68.92 -41.97 82.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.889 0.376 . . . . 0.0 110.684 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.6 -24.98 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.263 0.554 . . . . 0.0 110.534 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 29.2 tp60 -90.0 -59.93 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.135 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.36 -45.82 89.41 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.45 -175.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.83 33.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -72.43 84.6 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.447 . . . . 0.0 109.863 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.76 26.7 8.89 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.255 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -150.36 166.39 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.935 -0.156 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.47 105.59 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.374 0.607 . . . . 0.0 111.631 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.83 72.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.814 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.3 -39.11 89.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.986 0.422 . . . . 0.0 111.028 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.95 -46.0 86.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.384 0.611 . . . . 0.0 109.446 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.2 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.667 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -53.92 -43.97 70.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.79 0.436 . . . . 0.0 110.74 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -51.94 66.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.44 -44.93 89.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 89' ' ' VAL . 39.6 t -55.98 -50.82 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 CA-C-O 120.802 0.334 . . . . 0.0 111.237 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.5 mt -57.7 -31.93 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.627 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.32 -8.17 55.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.176 0.513 . . . . 0.0 110.745 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 24.4 m -114.15 -11.28 12.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.801 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 85' ' ' VAL . 79.6 t -75.55 102.41 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -122.74 158.66 29.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.624 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -74.94 151.64 38.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.402 ' HB2' ' CD2' ' A' ' 100' ' ' TRP . 57.5 t30 -77.74 76.43 4.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.462 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -81.97 -26.32 34.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.898 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.36 -14.91 54.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.675 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 66.76 21.57 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.177 -0.919 . . . . 0.0 113.282 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.88 115.89 22.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.196 0.522 . . . . 0.0 110.09 172.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -32.5 65.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.492 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 76.8 m -64.7 -37.4 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.439 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.415 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 47.4 t-80 -85.53 -20.24 29.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.402 ' CD2' ' HB2' ' A' ' 92' ' ' ASN . 10.0 t90 -69.73 -53.19 19.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 110.128 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.462 0.648 . . . . 0.0 109.952 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 62.5 t80 -72.79 -28.65 62.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.574 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -66.27 -46.34 77.38 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.939 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.05 -45.69 93.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.946 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.81 -46.8 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 0.0 111.113 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -66.73 -37.79 85.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.12 -175.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.7 t -64.19 -42.82 96.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.34 -48.14 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.94 -20.44 65.22 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.05 0.452 . . . . 0.0 111.059 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -60.36 -36.72 78.67 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.453 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.83 -31.7 6.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.713 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -133.04 70.46 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.186 -173.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -84.77 -36.3 21.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.639 0.257 . . . . 0.0 111.412 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.7 m -62.65 -34.54 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.948 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.59 -33.75 76.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.17 -41.79 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -69.77 -37.9 76.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.826 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.89 67.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.452 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.472 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.0 t -56.5 -45.28 81.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.545 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 27.4 pt -85.83 -2.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.013 0.435 . . . . 0.0 110.702 -179.149 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.8 p -86.37 -170.25 3.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.816 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.435 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 69.5 m -59.57 -46.6 88.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.118 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.47 -44.29 84.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.41 -47.6 81.32 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.094 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.9 tp -57.79 -36.83 72.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.074 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 8' ' ' THR . 57.2 mt-30 -58.16 -40.73 82.16 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.951 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.526 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 51.3 ttt180 -66.11 -46.12 78.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 177.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -62.24 -33.44 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.026 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 17.2 mtt180 -60.03 -53.32 59.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -52.59 -52.02 57.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.466 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.8 mt-10 -64.23 -31.6 72.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.838 -176.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 97.8 m -76.52 -32.86 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.773 175.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.17 -51.52 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 p -65.84 -31.54 72.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.718 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -76.39 -50.02 15.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.4 mt -82.83 4.52 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 111.805 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t30 56.44 41.35 28.95 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.18 125.06 89.53 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.471 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -64.37 143.64 83.33 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.779 2.319 . . . . 0.0 111.49 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.49 -31.81 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.401 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.17 -54.26 32.96 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.5 m-85 -61.9 -36.96 82.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.24 -44.43 87.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.802 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.3 mt-10 -61.3 -35.59 77.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.21 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -69.94 -45.74 66.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.245 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 17.7 m-85 -58.03 -41.54 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.964 0.411 . . . . 0.0 111.375 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -63.52 -27.46 69.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.374 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -96.72 21.97 8.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.438 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 99.4 m95 53.21 44.74 29.81 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.024 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.58 114.22 18.45 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.84 93.67 46.78 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -173.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.5 147.43 86.31 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.625 2.217 . . . . 0.0 113.131 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.54 84.51 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.191 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' O ' ' HG3' ' A' ' 44' ' ' MET . 21.2 t70 -157.36 147.2 20.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.71 -31.31 47.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.342 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.9 m -57.25 -57.88 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.148 0.499 . . . . 0.0 110.634 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.438 HG23 ' CE1' ' A' ' 32' ' ' PHE . 27.3 m -59.39 -36.36 75.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.413 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.573 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 61.2 mtt -63.34 -52.1 63.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.359 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -23.13 56.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.516 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.6 -46.43 87.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.18 -40.03 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.886 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -61.96 -48.92 78.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 t -57.53 -48.33 79.58 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.376 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.33 -47.44 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 121.049 0.452 . . . . 0.0 111.216 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -64.23 -27.86 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.07 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.07 -37.31 46.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.893 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.478 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 24.2 mtpp -71.46 -27.54 63.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -87.92 1.34 54.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.079 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 56.23 49.87 14.52 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD22 HD23 ' A' ' 68' ' ' LEU . 7.6 mt -121.33 -19.84 6.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.872 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 68.9 t80 -137.07 132.12 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.106 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.33 135.4 45.04 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.02 -19.63 65.92 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 111.303 -172.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.7 m -100.16 -59.44 1.71 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.985 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -82.11 -17.53 46.12 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.46 -154.55 21.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.224 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -59.87 122.34 11.26 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.085 2.523 . . . . 0.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 mt -86.26 89.53 7.88 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.2 t -51.06 -41.98 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.727 -173.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.84 -51.77 68.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.201 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.43 -34.73 78.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.463 . . . . 0.0 110.389 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -60.57 -47.51 85.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.24 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' VAL . 95.7 t -65.8 -41.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.309 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.72 -30.72 69.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.083 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.259 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.406 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.9 mt -64.52 -42.45 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.95 32.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -68.3 89.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.876 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 30.46 13.45 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.205 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -146.94 178.15 8.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 111.547 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.74 107.83 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.24 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.364 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.37 -47.69 84.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.2 tt0 -63.1 -49.26 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.3 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.72 -46.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -54.54 -44.81 73.17 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.759 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.1 m -62.13 -53.1 60.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.189 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.6 mt-10 -59.52 -35.98 75.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.713 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.38 -51.01 73.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.601 0.239 . . . . 0.0 111.173 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.47 -32.62 67.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.66 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.83 -8.54 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.06 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.6 m -114.56 -7.64 12.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.173 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.27 108.66 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.335 0.588 . . . . 0.0 110.138 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.89 172.11 7.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.342 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -100.98 163.43 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.013 0.435 . . . . 0.0 110.862 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.541 ' HB2' ' CD2' ' A' ' 100' ' ' TRP . 58.5 t30 -85.36 64.09 8.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.606 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.9 p -74.34 -20.27 60.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.6 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.4 -11.07 56.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.117 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.34 25.53 10.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.506 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.7 114.61 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.33 70.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 39.5 m -62.13 -40.26 95.32 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.115 0.483 . . . . 0.0 110.226 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -80.88 -26.81 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.745 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.541 ' CD2' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -63.31 -56.81 13.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.666 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.78 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.729 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 71.8 t80 -66.02 -34.0 77.09 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.072 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 103' ' ' ARG . 20.9 ttp180 -68.23 -39.31 82.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.65 0.262 . . . . 0.0 110.496 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.06 -46.49 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.527 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -65.87 -48.3 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -60.85 -42.9 98.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.421 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.69 -42.93 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.169 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.406 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 26.0 t80 -74.18 -46.78 39.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 -173.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.66 -9.82 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -64.5 -36.53 84.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.997 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.29 -14.88 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -126.13 51.74 1.76 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.9 tp -83.5 -28.17 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.609 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 t -66.29 -32.23 73.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.1 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.94 -34.35 75.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.142 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.66 -40.83 87.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.207 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.34 -34.71 78.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.516 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.06 -31.26 62.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.423 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.8 t -59.06 -41.3 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.669 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.9 pt -92.72 0.82 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.135 0.493 . . . . 0.0 111.137 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.7 tttt . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.873 -178.387 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.9 p -81.81 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.881 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m -58.32 -41.56 84.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.921 0.391 . . . . 0.0 110.924 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.29 -44.53 96.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.041 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -64.96 -40.53 95.13 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.044 0.449 . . . . 0.0 109.97 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.615 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.7 tp -58.68 -43.58 90.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.52 -175.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.13 -31.14 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 -175.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -70.45 -40.67 73.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.341 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.64 -37.4 82.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.615 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 25.3 mtm180 -64.95 -39.1 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.5 m -66.56 -45.76 78.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -54.82 -40.44 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.528 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.96 -31.64 50.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.579 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.49 -52.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 0.0 110.516 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -66.63 -31.86 72.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.43 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 t -75.28 -48.6 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.714 0.292 . . . . 0.0 110.973 -176.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 54.6 39.98 31.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.244 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.55 122.28 81.13 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.69 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.63 143.04 91.87 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.827 2.351 . . . . 0.0 111.271 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.578 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.01 -32.68 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.202 -177.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.73 -55.26 14.57 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.701 0.626 . . . . 0.0 111.128 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.13 -36.93 85.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.694 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.41 -42.14 86.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.659 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.4 mt-10 -58.44 -35.61 72.39 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 110.469 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -67.31 -48.8 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.685 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 43' ' ' THR . 11.0 m-85 -60.66 -31.85 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.949 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HA ' HH22 ' A' ' 15' ' ' ARG . 34.9 tttm -71.19 -10.06 59.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -119.72 21.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 57.68 44.95 19.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.227 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -119.05 116.02 25.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.007 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.86 84.7 49.98 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.08 148.53 88.93 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.46 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -73.46 90.02 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.977 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.563 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.6 t70 -154.98 145.98 22.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.087 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.95 -25.56 66.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.746 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -62.64 -57.85 9.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.418 HG23 ' CE1' ' A' ' 32' ' ' PHE . 25.9 m -55.77 -35.78 66.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.26 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.575 ' HG2' ' CG ' ' A' ' 102' ' ' PHE . 66.2 mtt -65.35 -51.16 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.41 -176.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.577 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 85.5 m -64.29 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -62.49 -41.45 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.023 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.633 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.0 OUTLIER -63.25 -45.68 90.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.424 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -57.36 -47.73 80.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.132 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.27 -46.74 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.267 0.556 . . . . 0.0 110.856 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.463 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 4.0 m-30 -65.29 -25.18 67.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.725 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -79.86 -37.83 34.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.845 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -69.38 -27.66 65.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.3 mtp -91.51 5.62 48.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.516 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 55.98 46.96 20.88 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.254 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.49 -18.15 6.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.222 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 78.4 t80 -140.27 139.44 35.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.577 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -118.67 140.83 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.04 -10.12 59.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.886 0.374 . . . . 0.0 111.669 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m -110.51 -57.21 2.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.156 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.55 -8.63 59.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.016 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.56 -154.98 36.93 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.638 -0.792 . . . . 0.0 113.067 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.77 121.99 10.88 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.093 2.529 . . . . 0.0 111.837 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -83.3 90.27 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.121 0.486 . . . . 0.0 109.743 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.9 t -50.24 -44.92 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.574 -173.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.08 -55.26 37.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.5 0.191 . . . . 0.0 111.364 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.7 -35.12 77.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 65' ' ' VAL . 87.5 t -70.53 -44.73 76.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -62.29 -24.82 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 111.512 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -89.83 -60.26 1.98 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.041 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 95.9 mt -63.77 -46.11 86.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.265 -175.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -74.76 34.06 0.1 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -69.98 84.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.36 37.7 5.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.859 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -154.66 165.12 37.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.535 0.207 . . . . 0.0 110.816 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.32 107.92 1.0 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.658 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.18 71.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.975 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.11 -39.22 89.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -48.51 71.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.52 -48.09 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.845 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -53.04 -40.41 63.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.3 m -65.01 -55.51 18.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.715 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.3 -27.62 69.45 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.51 -50.2 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.856 0.36 . . . . 0.0 110.587 171.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.5 mt -58.09 -31.0 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.778 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.14 -19.35 65.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.189 0.518 . . . . 0.0 110.687 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -104.59 -9.48 18.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.966 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -77.45 105.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.124 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -103.57 170.46 7.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.229 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -90.82 153.35 20.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.536 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -79.23 64.71 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.1 p -80.73 -15.67 55.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.303 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.35 -24.25 50.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.7 t30 59.35 32.96 22.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.049 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -149.65 117.55 6.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.681 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.15 77.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.078 -174.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.633 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 66.1 m -62.55 -46.92 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.741 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -76.15 -28.74 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.034 0.445 . . . . 0.0 110.273 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -66.71 -56.24 11.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.62 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.84 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.306 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 79.7 t80 -65.32 -35.3 80.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.251 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 103' ' ' ARG . 38.3 ttp180 -74.58 -32.51 62.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.99 -44.66 97.05 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.239 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -68.03 -48.21 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.604 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -56.4 -50.1 72.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.386 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -56.48 -45.01 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -74.9 -45.92 39.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.093 -174.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -67.69 -16.8 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.369 . . . . 0.0 111.274 -178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.25 -30.04 70.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.809 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -121.62 -24.91 5.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.1 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.5 m-20 -134.36 60.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 111.591 -172.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.6 -31.07 22.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.863 0.363 . . . . 0.0 110.713 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -63.85 -33.2 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.6 tp -68.51 -36.58 79.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.156 0.503 . . . . 0.0 109.993 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 112' ' ' ASN . 60.8 mt -64.5 -44.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.48 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.4 -33.34 48.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.202 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 90.2 p -64.0 -32.66 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 34.9 pt -91.09 0.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.481 . . . . 0.0 110.754 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt . . . . . 0 N--CA 1.448 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.589 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.7 p -75.17 173.59 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.293 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.4 m -53.01 -47.39 68.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.663 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.24 -50.53 71.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.614 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -60.01 -41.16 91.52 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.133 0.492 . . . . 0.0 109.839 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 60.1 tp -63.93 -38.76 92.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.025 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.18 -33.12 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.355 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.626 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 79.7 ttt180 -61.76 -60.66 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.411 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -60.35 -37.55 81.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.539 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -64.09 -40.7 96.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.181 -177.198 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -68.58 -43.06 77.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.1 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 27.6 mm-40 -54.98 -49.78 70.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.317 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.9 -54.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -69.22 -18.36 63.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.611 -176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 m -88.95 -47.9 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.286 -0.258 . . . . 0.0 111.042 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.52 10.9 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m120 55.97 38.12 29.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.2 mm -70.66 120.57 79.77 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.12 140.14 93.7 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.685 2.257 . . . . 0.0 111.999 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.72 -31.57 62.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.565 -177.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.4 m-20 -53.12 -51.02 63.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.224 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 29.6 m-85 -60.33 -40.25 89.98 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.094 177.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.99 -45.89 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.482 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -61.06 -37.16 81.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.309 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 92.7 mttt -64.42 -43.35 94.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.795 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 16.3 m-85 -60.04 -32.69 71.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -66.84 -22.61 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.254 0.549 . . . . 0.0 110.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -100.95 17.32 22.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.964 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.4 m95 54.1 39.85 31.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.799 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -113.0 109.6 19.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.045 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -115.72 90.81 27.94 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.135 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -54.74 140.03 77.29 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.333 2.022 . . . . 0.0 112.136 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.28 85.77 1.43 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.185 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -150.68 145.18 25.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.703 -177.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.54 -35.39 53.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.408 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -59.84 -51.68 68.67 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.063 0.459 . . . . 0.0 110.729 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.422 HG23 ' CE2' ' A' ' 32' ' ' PHE . 21.3 m -61.72 -33.05 73.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.837 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 63.0 mtt -69.94 -49.79 48.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.5 -174.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.45 -30.43 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.307 . . . . 0.0 110.289 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.18 -51.29 69.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -59.16 -37.77 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.828 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.63 -50.21 73.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.46 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -59.37 -47.65 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.407 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.56 -50.38 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.209 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-85 -65.07 -25.83 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.875 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -78.73 -39.52 36.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.29 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -75.33 -20.1 59.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.184 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 80.5 mtp -89.33 6.04 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 176.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 55.83 44.23 26.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.432 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 68' ' ' LEU . 7.7 mt -122.34 -18.54 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.188 -175.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 71.7 t80 -143.7 142.44 30.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.753 178.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.595 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 31.3 t70 -130.27 143.71 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.41 -12.24 60.02 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.134 0.492 . . . . 0.0 110.884 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.595 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 38.8 m -97.13 -62.2 1.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.227 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.3 -18.31 52.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.92 -155.86 28.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.468 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.7 122.41 11.6 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 123.021 2.481 . . . . 0.0 111.484 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.84 85.72 6.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 69' ' ' VAL . 94.3 t -48.1 -44.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.494 -173.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -58.9 -53.56 56.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.749 0.309 . . . . 0.0 111.327 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.87 -32.38 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.559 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.435 HD23 HD22 ' A' ' 56' ' ' LEU . 18.5 mt -62.04 -45.83 91.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.49 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 65' ' ' VAL . 69.4 t -69.77 -41.73 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -53.94 -37.97 64.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.338 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.449 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 61.6 tp60 -86.93 -59.13 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.639 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 96.0 mt -65.21 -46.74 79.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -74.76 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -69.45 92.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.065 0.459 . . . . 0.0 110.121 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.12 26.35 19.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.954 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -145.19 161.41 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.585 0.231 . . . . 0.0 110.421 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.87 109.69 0.77 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.839 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.92 80.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.727 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.05 -37.8 88.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 111.493 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 1.8 mp0 -61.88 -49.8 74.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.333 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.08 -46.26 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.955 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -52.19 -44.7 64.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.4 m -61.86 -52.33 64.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.985 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 31.1 mt-10 -57.24 -41.85 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.298 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.4 t -58.68 -49.89 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.071 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.29 -28.08 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.6 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.85 -6.82 52.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.245 0.545 . . . . 0.0 110.815 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.8 m -113.35 -11.09 13.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.293 177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 85' ' ' VAL . 99.2 t -79.58 132.93 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.952 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -152.52 174.47 13.87 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -89.8 151.76 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.783 0.325 . . . . 0.0 110.783 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.453 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 56.5 t30 -77.06 72.03 3.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.45 0.643 . . . . 0.0 110.795 -177.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 p -80.97 -14.87 57.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.343 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -81.87 -17.17 48.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 66.01 19.63 11.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.516 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.32 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.9 70.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.849 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.23 -41.93 97.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.704 0.287 . . . . 0.0 110.287 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.682 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 32.3 t-80 -77.33 -29.81 53.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.453 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 8.8 t90 -60.38 -56.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . . . -62.5 -37.12 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.464 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 71.7 t80 -66.34 -32.11 73.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.136 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.682 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 41.2 mtm180 -67.59 -45.89 74.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.44 96.11 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.755 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -66.58 -46.69 75.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.863 0.363 . . . . 0.0 111.056 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -69.24 -37.11 77.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.239 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 37.9 t80 -76.46 -50.2 14.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.94 -22.77 65.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.39 -34.18 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -129.53 64.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.425 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -86.2 -30.84 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.183 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -65.88 -35.25 80.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.1 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.331 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.25 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.27 -46.39 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.589 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.72 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.681 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.449 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.7 t -59.16 -45.63 90.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.554 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -86.68 0.03 6.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.119 0.485 . . . . 0.0 111.208 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.325 177.8 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.908 0.385 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -80.91 -172.71 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.607 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 13.7 m -59.61 -39.12 83.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.0 -53.99 50.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.38 -39.57 93.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 66.0 tp -60.5 -35.0 74.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.35 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 8' ' ' THR . 26.6 mm-40 -66.32 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 0.0 110.673 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -63.29 -55.85 21.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.659 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -63.55 -37.16 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.142 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -66.6 -38.02 86.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.766 -178.39 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -65.72 -48.39 72.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -50.02 50.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.97 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.9 m -68.54 -36.36 78.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.69 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.91 -49.36 80.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.291 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -62.19 -34.77 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.473 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -81.4 -47.77 12.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.38 8.97 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 m120 55.69 34.45 23.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.568 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.8 mm -64.56 120.37 65.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.301 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -62.29 141.98 89.62 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.606 2.204 . . . . 0.0 111.514 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.04 -31.06 60.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.37 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -54.18 -50.42 67.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.252 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.2 m-85 -61.52 -37.97 85.68 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.233 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.29 -42.57 84.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.5 mt-10 -64.08 -32.88 74.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.761 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.98 -51.93 54.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.445 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CE2' HG23 ' A' ' 43' ' ' THR . 11.5 m-85 -59.09 -34.6 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.759 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -62.83 -27.01 69.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.75 11.42 38.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.4 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.7 m95 62.01 46.79 6.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.33 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.11 110.42 15.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.199 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -114.92 94.91 39.85 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.206 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -64.28 151.76 84.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.733 2.289 . . . . 0.0 112.59 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -77.27 87.53 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.017 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.6 t70 -151.17 145.78 25.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.939 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.56 -25.35 67.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.691 -173.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -63.22 -56.24 18.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.436 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.465 HG23 ' CE2' ' A' ' 32' ' ' PHE . 29.7 m -56.47 -36.77 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.43 177.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.25 -49.95 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.686 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.96 -30.34 70.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.495 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.91 -49.42 77.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.04 -38.15 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.1 tmmm? -58.39 -56.55 20.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -56.4 -48.2 77.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.699 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.42 -49.13 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.268 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -64.24 -28.01 69.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.803 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -77.26 -42.63 36.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.38 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -69.55 -29.41 66.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.773 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.7 mtp -83.52 5.79 22.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.501 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 56.35 41.06 29.52 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.427 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.0 mt -117.08 -16.29 10.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.644 -175.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.8 t80 -145.34 137.33 25.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 32.0 t70 -124.61 146.08 49.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.286 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.64 -11.24 60.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.745 0.307 . . . . 0.0 111.345 -175.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.482 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 41.8 m -100.23 -65.76 0.95 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.097 176.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -74.19 -16.18 60.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 -145.8 28.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.098 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.67 119.94 7.1 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.503 2.136 . . . . 0.0 111.942 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.27 93.3 5.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.079 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 69' ' ' VAL . 72.0 t -51.54 -44.47 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.862 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.85 -52.11 67.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.565 0.221 . . . . 0.0 111.568 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.51 -33.22 73.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.541 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.8 -45.5 94.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.0 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 65' ' ' VAL . 97.8 t -69.83 -41.18 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.958 177.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -63.86 -27.77 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 74' ' ' HIS . 30.9 tp60 -90.37 -60.13 2.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.737 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.511 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 90.1 mt -62.67 -44.85 95.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.38 33.41 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.8 t-80 -74.36 82.81 1.92 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.602 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.0 6.52 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.183 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' HD13 ' A' ' 115' ' ' LEU . 18.2 mtp180 -153.3 169.58 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.71 117.09 8.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.553 0.692 . . . . 0.0 110.997 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.494 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.66 -44.45 77.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 110.726 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.18 -48.35 78.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.356 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.2 -45.47 80.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.425 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -51.43 -47.55 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -63.39 -48.61 77.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.132 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.38 -43.17 78.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 89' ' ' VAL . 36.3 t -58.82 -50.0 80.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.659 0.266 . . . . 0.0 111.05 176.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.73 -29.43 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.727 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.52 -10.62 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.896 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -112.29 -9.4 13.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.4 t -79.18 106.83 10.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.95 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.099 0.476 . . . . 0.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -87.72 155.78 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.062 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -81.7 72.4 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.248 0.547 . . . . 0.0 110.73 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.0 p -89.09 -12.27 41.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.378 0.609 . . . . 0.0 109.998 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' HH12 ' A' ' 103' ' ' ARG . 4.1 m-20 -75.69 -26.63 57.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.098 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 61.71 27.21 16.66 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.723 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -147.56 110.06 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.727 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.01 71.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.85 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 64.3 m -62.4 -40.4 96.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.685 0.279 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.26 -28.61 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.29 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -65.34 -55.18 19.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.305 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.42 86.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 77.4 t80 -66.8 -34.35 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.419 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.435 HH12 ' CG ' ' A' ' 94' ' ' ASP . 38.1 ttp-105 -71.51 -35.88 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.191 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.22 -46.35 93.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.496 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -65.9 -46.76 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.915 0.388 . . . . 0.0 110.875 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -65.95 -37.0 84.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.069 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.69 -40.73 98.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.272 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.511 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 36.4 t80 -77.18 -48.88 16.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.572 -173.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -64.81 -23.57 67.28 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 120.717 0.294 . . . . 0.0 111.351 -176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -64.0 -21.88 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.788 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -116.55 -34.88 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.568 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -132.95 70.1 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.278 -170.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.1 tp -88.68 -33.04 17.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.35 . . . . 0.0 111.273 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -62.86 -35.51 80.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 109.902 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.462 HD13 ' HD3' ' A' ' 76' ' ' ARG . 31.5 tp -64.64 -35.83 82.29 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.77 -41.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.071 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.4 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.4 mttt -67.31 -36.38 81.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.714 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.67 45.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.394 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.2 p -70.84 -30.94 67.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.5 pt -97.74 -6.31 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.283 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 120.783 0.325 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.507 HG22 ' OD2' ' A' ' 10' ' ' ASP . 11.7 t -79.64 -177.42 5.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -51.5 -51.68 53.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.67 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.507 ' OD2' HG22 ' A' ' 7' ' ' THR . 9.0 m-20 -58.61 -41.36 85.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.12 -41.91 99.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.948 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.178 0.513 . . . . 0.0 110.39 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.4 ttm180 -64.71 -50.89 65.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.632 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.95 -34.1 77.22 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.937 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.99 -46.62 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.77 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -61.96 -47.8 83.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.666 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.66 -31.3 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -82.8 -35.32 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.15 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -66.5 -53.83 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -68.87 -17.32 63.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.328 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -90.75 -47.85 7.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.045 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -84.28 11.3 8.55 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.91 40.18 29.02 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.268 0.556 . . . . 0.0 110.934 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.7 mm -74.36 120.2 80.25 Favored Pre-proline 0 N--CA 1.452 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.179 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.53 141.68 95.98 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.811 2.341 . . . . 0.0 111.708 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.65 -34.26 61.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.631 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.79 -46.48 84.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -60.58 -38.4 84.49 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.351 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.72 -41.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.276 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.3 mt-10 -67.46 -30.28 69.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -63.68 -49.17 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.283 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.2 -34.64 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.363 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -62.42 -33.7 75.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -89.88 17.63 6.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.194 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.458 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.5 m95 55.24 38.69 30.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.166 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -113.81 110.51 20.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.251 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.7 90.69 32.34 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.526 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.31 143.69 85.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.338 2.026 . . . . 0.0 112.402 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.06 78.32 3.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.815 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.7 t70 -144.18 148.88 35.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.45 -174.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.18 -42.55 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.226 0.329 . . . . 0.0 111.721 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -53.37 -57.23 11.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.307 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 m -60.06 -34.66 73.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.394 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -64.72 -52.15 58.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.435 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -65.86 -29.99 70.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.673 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.579 ' O ' HG13 ' A' ' 50' ' ' VAL . 36.8 t80 -60.46 -51.63 68.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.15 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -57.74 -42.89 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.821 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.61 -45.75 91.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.42 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -60.36 -47.85 84.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.989 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 46' ' ' TYR . 0.9 OUTLIER -71.76 -27.62 28.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.0 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.0 m-30 -68.37 -27.02 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.36 -43.14 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.681 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -62.71 -32.64 73.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.612 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.7 mtp -91.71 0.19 57.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 58.49 48.68 11.71 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.338 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.94 -13.78 7.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.55 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.556 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 82.6 t80 -139.89 141.9 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 24.1 t70 -123.89 147.2 47.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -65.2 -21.3 66.74 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.4 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.402 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 38.2 m -103.57 -66.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.649 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -69.83 -13.4 62.25 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.73 -145.84 30.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.117 -1.039 . . . . 0.0 111.842 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.29 121.9 10.5 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.681 2.254 . . . . 0.0 111.672 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.11 89.0 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.875 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 69' ' ' VAL . 84.1 t -50.43 -44.36 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.933 -1.031 . . . . 0.0 112.736 -173.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.47 -52.03 66.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.74 -34.27 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.323 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.16 -47.37 86.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.269 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -66.86 -42.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.81 -30.41 68.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.987 0.422 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.2 mt -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.475 -174.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.22 32.84 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.1 t-80 -72.64 88.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.745 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.56 20.34 15.35 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.257 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HD3' HD13 ' A' ' 115' ' ' LEU . 12.3 mtp180 -146.96 169.59 18.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.292 0.568 . . . . 0.0 111.886 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.5 m-20 -65.27 109.56 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.159 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.85 90.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.671 -175.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.35 -33.2 74.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.176 0.512 . . . . 0.0 110.658 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 2.5 mp0 -71.11 -45.92 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 77' ' ' ASP . 69.9 t -55.58 -45.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.363 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -52.14 -43.71 64.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.176 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -65.39 -50.27 66.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.062 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 30.3 mt-10 -56.97 -43.66 81.85 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.208 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.1 t -58.38 -48.97 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-O 120.68 0.276 . . . . 0.0 111.434 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.81 -28.58 66.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.786 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -75.48 -9.58 58.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 110.889 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.3 m -111.7 -11.7 13.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.719 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.74 105.7 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.672 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.24 175.52 5.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.657 -176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -101.26 151.51 21.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.69 0.281 . . . . 0.0 110.985 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.17 70.37 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.503 0.668 . . . . 0.0 110.721 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 p -81.59 -20.52 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.595 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.44 -9.03 57.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.297 0.57 . . . . 0.0 110.664 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.17 37.27 20.85 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.917 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -152.43 120.17 6.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.906 -176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.5 -32.84 74.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.01 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.9 m -60.58 -40.52 92.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.883 0.373 . . . . 0.0 110.405 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -82.41 -28.44 31.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.086 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -66.08 -52.87 44.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.138 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.38 84.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.481 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 75.6 t80 -66.71 -34.52 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.865 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.27 -39.89 89.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.207 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.58 81.08 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.79 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -63.05 -48.07 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.727 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -62.73 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.4 t -62.87 -43.41 98.86 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.198 0.523 . . . . 0.0 110.877 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.528 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 22.6 t80 -74.8 -42.1 58.73 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.006 -172.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -7.06 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 111.308 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -86.65 -20.01 28.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -128.99 -16.19 4.13 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.01 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.529 ' O ' HG13 ' A' ' 116' ' ' ILE . 14.4 m-80 -147.35 68.07 1.14 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.373 0.269 . . . . 0.0 110.971 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.3 tp -83.39 -36.14 24.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.08 0.467 . . . . 0.0 110.767 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 m -62.66 -35.94 81.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.14 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.463 HD13 ' HD3' ' A' ' 76' ' ' ARG . 49.1 tp -66.36 -35.14 79.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.394 177.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 112' ' ' ASN . 59.5 mt -66.3 -42.61 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.121 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.458 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.7 mttt -64.34 -40.72 96.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.592 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.89 -20.02 58.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.32 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.449 ' HA ' ' HB3' ' A' ' 74' ' ' HIS . 82.6 p -71.35 -34.73 70.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.7 pt -96.93 -10.94 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 117' ' ' LYS . 16.8 tptm . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.309 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -75.12 -174.72 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.061 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.536 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 11.5 m -59.52 -43.14 93.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.097 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.33 -46.65 87.74 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.87 -39.82 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.077 0.465 . . . . 0.0 110.212 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 67.4 tp -64.16 -41.12 97.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.171 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 8' ' ' THR . 22.1 mt-30 -67.4 -22.72 65.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.278 0.561 . . . . 0.0 110.116 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.611 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 31.7 ttm180 -70.92 -62.48 1.38 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.69 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -59.06 -38.42 79.36 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.573 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.46 -36.82 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.591 -175.453 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -69.53 -42.33 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 0.0 110.577 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.1 mm-40 -56.61 -50.65 71.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.131 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -64.43 -37.27 86.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.62 -53.04 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 120.896 0.379 . . . . 0.0 110.714 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 t -64.18 -36.99 85.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.289 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -75.63 -48.09 23.66 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.54 10.85 8.06 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -173.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.76 38.61 27.44 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.361 0.601 . . . . 0.0 111.063 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -73.17 122.34 87.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.209 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.03 143.55 91.07 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.822 2.348 . . . . 0.0 112.11 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.57 63.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.339 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.75 -52.57 63.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.9 175.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.2 -40.5 94.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.242 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.3 -40.93 82.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.083 0.468 . . . . 0.0 110.819 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -38.22 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.365 177.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.72 -48.09 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.477 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CE1' HG23 ' A' ' 43' ' ' THR . 13.6 m-85 -57.63 -24.25 55.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.264 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -64.77 -31.06 72.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.431 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -107.88 30.7 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.7 m95 51.55 41.04 28.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.33 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -105.42 109.19 21.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.971 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -115.97 91.67 32.12 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.5 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.66 140.67 94.24 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 112.074 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.59 89.45 3.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.69 0.757 . . . . 0.0 109.814 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.3 t70 -155.6 145.22 21.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.018 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.55 -29.98 39.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.243 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 m -58.04 -59.16 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.461 ' O ' HG12 ' A' ' 47' ' ' ILE . 19.1 m -57.72 -34.57 69.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.975 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -68.16 -51.18 48.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.769 -174.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.525 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 72.9 m -64.91 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -63.87 -47.51 80.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.57 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 43' ' ' THR . 28.1 mm -59.34 -41.79 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.789 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.566 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -66.0 -43.96 86.2 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.673 -178.512 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.96 -44.09 82.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 111.073 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.11 -49.09 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.203 0.525 . . . . 0.0 110.699 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -65.18 -22.99 66.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.854 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -76.78 -44.12 34.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.177 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -72.81 -24.77 60.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.05 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.2 mtp -86.99 4.94 39.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.028 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 56.2 50.49 13.36 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.297 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 71' ' ' GLN . 6.8 mt -126.56 -20.49 4.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.777 -174.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -138.11 139.35 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -121.57 141.43 51.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.524 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.21 -23.6 67.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.545 -175.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -95.93 -64.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.644 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -73.76 -16.31 61.17 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.64 -146.06 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.204 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.58 124.88 16.79 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.872 2.381 . . . . 0.0 111.934 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.8 95.36 10.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.106 0.479 . . . . 0.0 109.925 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 77.3 t -51.71 -46.61 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.838 -1.074 . . . . 0.0 113.136 -172.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.86 -52.25 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.686 0.279 . . . . 0.0 111.301 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.487 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 4.7 m-20 -62.93 -33.22 74.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.713 0.292 . . . . 0.0 110.324 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.41 -44.69 95.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.167 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 65' ' ' VAL . 74.7 t -68.31 -47.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -66.24 -17.74 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 111.388 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 67' ' ' ASN . 3.4 tp-100 -90.48 -60.44 1.92 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.268 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 74' ' ' HIS . 98.7 mt -69.08 -40.04 78.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.911 -173.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.75 33.2 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.446 ' H ' ' C ' ' A' ' 72' ' ' LEU . 34.9 t-80 -72.11 87.03 1.06 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.923 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.87 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.502 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.496 ' HD2' HD13 ' A' ' 115' ' ' LEU . 24.7 mtt180 -149.01 168.43 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 111.242 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' HG23 ' A' ' 81' ' ' VAL . 32.4 m-20 -61.48 105.84 0.57 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.101 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.65 67.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.974 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.56 -44.23 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.89 -42.78 94.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.101 0.477 . . . . 0.0 109.879 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 77' ' ' ASP . 95.7 t -57.72 -47.43 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.445 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 82' ' ' ARG . 20.3 ttt180 -57.82 -45.21 86.48 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.73 0.3 . . . . 0.0 110.488 176.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 m -58.89 -52.76 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.106 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -57.26 -42.32 81.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.767 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.9 t -59.67 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.6 -31.23 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.456 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -73.0 -6.61 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.044 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.8 m -113.17 -13.91 12.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 85' ' ' VAL . 57.2 t -85.13 131.22 34.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.711 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -160.15 -178.19 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.579 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 4.6 mtpm? -71.46 152.34 43.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 112.563 -171.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.522 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 0.9 OUTLIER -76.41 64.23 2.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.639 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -64.74 -24.01 67.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.599 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.74 -9.14 59.83 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.891 0.377 . . . . 0.0 110.69 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 56.39 23.78 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -133.67 117.75 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.03 77.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.343 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.566 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 86.3 m -63.55 -43.33 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -78.24 -26.92 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 12.4 t90 -68.76 -52.73 27.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.441 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.562 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 81.1 t80 -65.56 -33.93 77.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.789 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -63.79 -46.17 86.39 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.346 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.39 -44.08 97.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.755 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -68.21 -46.7 69.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -64.25 -41.09 97.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.137 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.1 t -62.96 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -75.39 -47.71 26.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.114 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -67.83 -11.13 57.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.477 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.23 -34.21 76.98 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.98 -15.45 4.8 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.271 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -128.19 55.44 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.737 0.304 . . . . 0.0 111.28 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.2 tp -83.0 -32.98 26.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.6 t -60.36 -36.5 78.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.496 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.496 HD13 ' HD2' ' A' ' 76' ' ' ARG . 46.3 tp -65.98 -35.05 79.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.4 mt -67.58 -37.81 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.322 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.76 -36.43 78.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.845 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.08 -30.24 62.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.405 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.6 t -56.48 -47.4 79.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.314 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.4 pt -90.95 3.11 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.789 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 -177.926 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.535 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 40.6 m . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -86.09 177.84 7.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.535 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -60.03 -41.58 92.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 109.888 177.593 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -54.19 -45.34 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.866 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.25 -40.07 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.225 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.0 tp -65.13 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 8' ' ' THR . 35.1 mt-30 -70.65 -23.44 62.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.6 ttm180 -75.49 -51.14 13.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.409 178.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.1 -30.82 71.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.927 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 40.1 mtt180 -52.53 -45.46 66.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.006 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -63.8 -52.41 60.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.76 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.91 -41.08 97.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.45 -34.92 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.62 -53.6 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -65.67 -39.17 91.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.469 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -72.84 -44.06 61.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.553 0.216 . . . . 0.0 111.218 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -87.9 10.56 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t30 54.19 41.96 31.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.236 0.541 . . . . 0.0 110.795 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.5 mm -72.1 115.92 43.47 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.459 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -61.94 144.76 96.83 Favored 'Trans proline' 0 C--O 1.238 0.501 0 C-N-CA 122.956 2.437 . . . . 0.0 111.776 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.12 -35.26 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.431 -1.259 . . . . 0.0 112.468 -174.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.6 p30 -60.01 -38.12 81.72 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.189 0.306 . . . . 0.0 111.176 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.2 -39.52 82.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.653 0.264 . . . . 0.0 110.718 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.72 -44.62 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.218 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.7 mt-10 -61.97 -31.34 71.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 60.5 mttp -69.64 -46.16 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.01 -35.83 75.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.099 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -66.74 -17.71 65.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.375 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -108.13 17.06 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.8 m95 56.25 44.8 24.27 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.096 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -123.08 109.97 14.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.049 0.452 . . . . 0.0 110.249 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -114.09 97.8 46.33 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.125 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.23 148.56 69.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.603 2.202 . . . . 0.0 112.512 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -84.25 73.65 10.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.68 0.752 . . . . 0.0 109.53 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.656 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -142.84 157.07 44.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.258 -174.021 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -56.46 -41.43 76.52 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 m -55.55 -57.39 12.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.066 0.46 . . . . 0.0 111.191 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 m -58.13 -37.29 74.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.398 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.19 -45.25 77.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.266 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 74.4 m -68.45 -27.14 65.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.078 0.466 . . . . 0.0 110.722 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.514 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 34.0 t80 -64.17 -42.68 96.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.103 174.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.59 -40.74 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.923 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -62.35 -47.36 84.53 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.727 -178.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.2 -49.72 76.05 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.74 -47.3 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 120.919 0.39 . . . . 0.0 111.323 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.1 m-30 -64.61 -27.11 68.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -76.15 -42.23 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.86 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -69.65 -25.87 64.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.535 ' SD ' ' HB3' ' A' ' 6' ' ' SER . 46.0 mmm -82.33 2.08 33.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.703 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 53.98 46.58 25.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.242 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 71' ' ' GLN . 8.6 mt -127.21 -19.44 4.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.358 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.9 t80 -140.76 137.89 33.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.696 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 28.7 t70 -118.56 140.97 49.05 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.67 -5.07 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.224 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.408 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 18.7 m -106.08 -62.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.24 -13.68 59.89 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.61 -156.2 31.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.081 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.37 122.86 12.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.109 2.54 . . . . 0.0 111.886 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.38 88.18 7.26 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 69' ' ' VAL . 97.7 t -50.7 -46.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.731 -1.122 . . . . 0.0 113.152 -171.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.73 -50.23 74.33 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.513 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -60.45 -36.29 77.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.192 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.428 HD23 HD22 ' A' ' 56' ' ' LEU . 16.6 mt -61.19 -38.86 88.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.401 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 65' ' ' VAL . 62.1 t -72.92 -43.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.689 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -59.68 -29.55 68.16 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.977 0.418 . . . . 0.0 111.261 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.467 ' HG2' HD11 ' A' ' 56' ' ' LEU . 46.4 tp60 -88.62 -59.06 2.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.196 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.9 mt -67.94 -46.22 72.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.62 32.52 0.08 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -73.55 97.28 2.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.986 0.422 . . . . 0.0 110.097 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.09 23.67 40.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.281 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -145.84 167.81 22.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 81' ' ' VAL . 24.9 t70 -63.43 113.65 3.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.306 0.574 . . . . 0.0 111.219 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.17 72.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.993 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.89 -43.54 75.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.119 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.67 -43.9 92.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 77' ' ' ASP . 70.4 t -57.07 -50.36 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.359 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.71 -43.21 76.29 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.031 0.443 . . . . 0.0 110.667 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -64.14 -51.39 64.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.177 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -54.46 -41.96 70.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.357 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 89' ' ' VAL . 41.7 t -60.6 -54.94 28.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 176.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.37 -31.42 65.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.808 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -55.42 -28.24 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.563 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.15 13.06 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 85' ' ' VAL . 71.5 t -78.11 99.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 109.526 171.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -113.87 -177.68 3.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.864 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -100.13 163.3 12.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.481 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.7 t30 -75.87 68.86 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.771 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.2 p -77.87 -15.23 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.717 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.92 -11.72 35.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.498 . . . . 0.0 110.545 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.05 24.39 12.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.516 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.406 HD21 ' HB2' ' A' ' 98' ' ' CYS . 13.8 t30 -143.95 122.64 12.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.005 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.49 -24.58 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.817 -175.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 63.3 m -66.02 -44.02 85.92 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.291 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.45 -30.28 53.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.443 . . . . 0.0 109.877 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -66.75 -54.3 24.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 66.0 t80 -67.84 -30.99 70.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.52 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -62.45 -46.52 88.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 110.044 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.98 -46.19 82.94 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.127 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.65 -42.84 90.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.701 0.286 . . . . 0.0 110.913 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.8 -45.28 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.049 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.82 -49.84 74.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.491 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 23.4 t80 -66.93 -43.91 82.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.905 -171.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 1.4 pp0? -67.27 -26.61 66.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.28 -29.09 69.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -117.03 -27.9 6.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.67 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -134.78 60.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 0.0 111.15 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 109' ' ' GLN . 58.4 tp -82.69 -27.23 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -64.39 -35.92 82.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.014 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.7 tp -68.5 -33.95 75.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.1 -42.55 88.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.054 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -64.54 -42.1 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.378 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.81 95.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.467 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -57.26 -48.87 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.338 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.6 pt -90.8 1.86 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.529 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.832 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 120.554 0.216 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 p -77.72 178.15 7.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.08 -40.89 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 0.0 110.883 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.14 -33.53 74.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -80.24 -38.05 31.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.979 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.88 -37.95 88.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.46 -176.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -64.9 -25.77 68.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 110.683 -178.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -70.38 -55.51 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.987 178.092 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.11 -34.62 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.49 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -59.77 -47.51 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.219 178.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.9 m -68.12 -44.3 76.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 -179.04 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -40.39 86.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.691 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.69 -35.15 65.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.79 177.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.94 -54.12 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 177.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -60.31 -36.43 77.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.446 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 t -78.37 -48.68 15.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.337 -175.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.32 9.88 11.96 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 m120 56.61 38.84 29.89 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.472 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.42 120.36 79.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.428 178.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -59.56 140.74 95.33 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.754 2.303 . . . . 0.0 111.736 177.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.94 -32.05 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.565 -177.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.26 -45.21 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.358 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.67 -36.96 85.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 176.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.4 -43.01 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.389 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.3 mt-10 -62.7 -29.28 70.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 178.269 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.525 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.2 mttm -68.69 -52.28 32.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 175.297 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CE1' HG23 ' A' ' 43' ' ' THR . 12.2 m-85 -57.0 -42.01 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 -177.298 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -65.18 -17.79 64.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 9.4 ptmt -109.22 15.88 22.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.399 0.619 . . . . 0.0 109.835 178.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.9 m95 64.49 43.88 4.31 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.209 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -122.84 114.08 20.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.83 177.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -120.9 92.12 48.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.038 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -59.83 152.97 59.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.76 2.306 . . . . 0.0 112.736 178.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.31 84.39 1.92 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.998 176.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.663 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.2 OUTLIER -148.95 136.52 20.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.178 -172.632 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.06 -30.36 70.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.317 -173.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.607 ' HB ' ' OD2' ' A' ' 40' ' ' ASP . 89.2 m -61.91 -53.4 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.366 173.594 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.406 HG23 ' CE1' ' A' ' 32' ' ' PHE . 58.7 m -55.38 -35.83 65.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.267 176.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -67.24 -48.72 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.58 -175.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.6 m -66.21 -28.6 68.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.477 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.73 -50.72 71.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 175.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 mm -58.72 -39.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.66 177.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -58.41 -54.57 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.545 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.6 t -58.35 -46.46 86.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.722 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.94 -46.83 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.122 0.486 . . . . 0.0 110.861 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.69 -23.3 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.994 -179.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -79.63 -43.82 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.276 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -70.47 -25.03 62.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.604 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.5 mtp -88.25 5.32 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.448 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 57.19 46.31 19.06 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.182 -178.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 56' ' ' LEU . 9.2 mt -123.19 -14.69 7.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.991 0.424 . . . . 0.0 111.588 -173.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -140.71 136.69 32.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.082 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -118.81 138.98 52.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.17 -20.03 65.73 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.44 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.49 -13.62 60.71 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.44 -146.69 26.3 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.058 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.22 122.08 11.18 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.037 2.491 . . . . 0.0 111.848 176.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 mt -83.07 92.27 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.089 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.1 t -50.71 -44.82 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.753 -174.565 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.33 -54.33 48.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.687 0.279 . . . . 0.0 111.194 -177.115 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -63.6 -33.65 76.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.236 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 65' ' ' VAL . 66.2 t -67.92 -43.34 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.546 176.646 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -58.26 -32.32 68.26 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.491 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.459 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 52.8 tp60 -87.15 -60.07 2.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.236 -178.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 74' ' ' HIS . 87.6 mt -65.85 -42.87 89.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.65 32.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 72' ' ' LEU . 54.2 t-80 -68.94 89.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.888 179.544 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.9 27.98 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.351 -178.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -146.38 164.49 32.27 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.88 -0.188 . . . . 0.0 110.781 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.9 105.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.684 0.615 . . . . 0.0 111.334 -177.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.469 -175.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.06 -37.9 89.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -177.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.72 -46.53 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.004 176.209 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 81.1 t -56.06 -48.22 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.33 178.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.04 -43.93 64.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.139 0.495 . . . . 0.0 110.794 176.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -67.95 -53.36 26.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.525 -176.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -56.27 -38.53 71.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.49 179.162 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.9 t -61.01 -50.96 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.014 175.427 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.5 mt -57.57 -31.67 66.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.873 -178.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.29 -17.51 63.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.943 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.0 m -106.31 -8.48 17.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 85' ' ' VAL . 97.0 t -73.93 99.7 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -105.01 170.41 7.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.184 -175.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -86.68 151.26 23.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.791 -177.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -84.17 65.51 8.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.497 0.665 . . . . 0.0 110.038 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.7 p -74.42 -30.26 61.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.854 -178.371 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -86.1 -6.21 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 110.743 -177.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 58.92 33.61 23.14 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.64 172.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.19 72.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.118 -172.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.78 -43.16 97.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.39 176.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -78.76 -25.59 44.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.692 0.282 . . . . 0.0 110.432 -177.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -65.78 -53.08 45.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.972 177.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.66 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.245 177.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 73.4 t80 -69.28 -31.42 69.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.759 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -69.24 -40.44 77.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.248 -178.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.99 -45.96 84.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.752 178.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -64.52 -44.79 89.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -66.27 -39.18 89.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.244 -175.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.03 -41.91 98.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -75.65 -48.17 23.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.407 -171.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -67.12 -18.86 65.49 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.712 0.292 . . . . 0.0 111.153 -177.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.64 -33.84 75.85 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 110.594 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -114.93 -29.9 6.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.153 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -133.15 65.05 1.6 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.342 -171.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -83.9 -25.71 29.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 110.2 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.7 m -63.62 -39.18 93.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.597 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 tp -66.1 -35.92 81.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.392 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.04 -41.13 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.24 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.28 -45.91 89.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.954 178.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.23 -29.76 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.585 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.459 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 46.8 t -56.1 -43.11 77.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.981 -179.343 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.2 pt -92.4 1.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.923 0.392 . . . . 0.0 111.414 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.663 -179.583 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.448 -0.552 0 CA-C-O 120.859 0.362 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.9 p -77.57 179.43 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 177.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -54.74 -41.7 70.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 177.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.6 -43.17 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -178.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.73 -41.88 97.99 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.708 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.7 tp -58.63 -45.89 88.27 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.765 -178.562 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.53 -31.08 71.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.17 0.509 . . . . 0.0 110.719 -176.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -64.44 -49.3 72.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.501 177.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.94 -36.2 82.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.1 -177.16 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 29.8 mtm180 -64.83 -35.3 80.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.463 -179.58 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.2 m -64.91 -44.22 90.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 0.0 110.731 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -45.2 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 177.292 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.02 -34.05 77.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.882 178.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.73 -51.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 179.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 t -64.04 -40.26 95.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.444 -179.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -71.26 -44.63 64.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.653 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.13 9.9 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 m120 53.54 39.7 30.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.894 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.5 mm -66.43 118.14 50.73 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.6 147.83 94.45 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.173 2.582 . . . . 0.0 112.187 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -26.74 48.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.963 -178.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.73 -57.55 11.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.774 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -63.23 -39.95 96.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.609 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.88 -42.0 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.243 0.544 . . . . 0.0 110.693 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -33.43 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.519 178.617 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.9 mttm -65.59 -42.98 91.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.207 175.015 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -68.85 -11.31 60.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.863 -178.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -78.36 -23.09 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.811 174.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 16.1 ptmt -109.49 9.02 25.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.314 -179.201 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.5 m95 57.08 54.07 7.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.73 -175.058 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' HD3' ' A' ' 38' ' ' PRO . 36.0 tt0 -119.68 110.78 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.18 91.19 22.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.498 -176.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 36' ' ' GLU . 26.3 Cg_exo -65.24 151.91 83.85 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.798 2.332 . . . . 0.0 112.591 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -75.46 91.66 2.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.764 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.0 t70 -156.01 142.36 18.44 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.15 -25.28 65.4 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.426 -175.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.3 m -59.45 -56.62 19.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.486 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.4 m -60.03 -34.74 73.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.158 178.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.5 mtt -67.19 -51.59 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.531 -174.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.1 m -65.81 -29.1 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.703 0.287 . . . . 0.0 110.603 178.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.433 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 29.0 t80 -60.86 -50.82 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 175.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.47 -40.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.823 178.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -61.52 -48.59 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.222 -178.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -57.91 -49.52 76.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.373 178.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.96 -47.2 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.367 0.603 . . . . 0.0 111.158 -177.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.9 m-30 -67.38 -27.11 66.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.993 -178.11 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -80.06 -39.31 30.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.564 -177.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -71.76 -30.83 66.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.0 mtm -82.24 4.84 21.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 175.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 53.91 48.54 21.02 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.596 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.433 HD22 HD23 ' A' ' 68' ' ' LEU . 6.9 mt -117.85 -17.12 9.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.533 -177.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 74.5 t80 -141.91 141.23 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.768 178.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 25.4 t70 -127.9 146.67 50.55 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.356 177.402 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.67 -9.81 59.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.211 -0.306 . . . . 0.0 111.34 -176.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.537 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 23.2 m -96.49 -64.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.124 176.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.54 -18.66 54.36 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.744 0.307 . . . . 0.0 111.646 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.22 -144.62 20.92 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.988 -175.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.38 123.51 11.58 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.295 1.997 . . . . 0.0 111.616 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -81.63 88.84 6.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.669 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.9 t -49.75 -44.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.517 -174.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.13 -51.44 69.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.756 -177.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.27 -35.37 77.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.516 178.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.433 HD23 HD22 ' A' ' 56' ' ' LEU . 19.0 mt -58.78 -49.85 76.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.362 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.72 -37.25 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -61.95 -31.51 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 0.0 110.635 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -89.34 -57.16 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.942 -177.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -64.38 -44.2 92.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.53 -174.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.94 0.12 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -68.86 99.71 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.35 29.74 55.48 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.172 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -147.07 160.76 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -65.22 106.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.378 0.609 . . . . 0.0 111.751 -175.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.03 -32.58 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.065 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.21 -47.91 83.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.239 179.308 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.8 mt-10 -67.56 -45.89 74.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.308 178.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.68 -48.77 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.51 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -58.17 -42.84 86.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 177.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -61.61 -53.92 49.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.081 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.3 mt-10 -60.97 -36.17 78.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.049 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.7 t -61.54 -50.65 79.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.643 0.259 . . . . 0.0 110.867 173.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.96 -31.53 66.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.813 -177.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -69.4 -14.45 62.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.141 0.496 . . . . 0.0 110.916 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -108.85 -5.95 16.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 85' ' ' VAL . 93.0 t -82.66 108.44 15.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -106.55 167.07 10.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.322 178.267 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -87.93 157.67 18.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.924 177.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 59.2 t30 -78.93 75.03 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.145 0.498 . . . . 0.0 111.27 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 56.2 p -90.33 -18.68 25.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.297 174.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.425 ' CG ' HH12 ' A' ' 103' ' ' ARG . 3.9 m-20 -73.89 -31.15 62.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.205 -176.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 66.0 21.17 11.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.847 -176.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.79 117.47 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 174.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.37 -30.85 70.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.863 -175.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.83 -44.04 91.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.569 0.224 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -79.6 -26.79 41.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.028 0.442 . . . . 0.0 110.279 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -68.1 -54.34 18.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.334 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.485 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -63.78 -37.66 88.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.972 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.457 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 76.7 t80 -66.18 -35.23 79.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.265 -176.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 103' ' ' ARG . 34.9 ttp180 -71.95 -34.45 69.01 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.221 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.51 70.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.588 176.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.39 -47.21 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.808 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -62.23 -40.29 95.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.017 -177.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.44 -45.79 92.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.97 178.313 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -74.07 -46.35 43.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.15 -173.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -66.23 -29.87 70.21 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.58 -18.83 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 110.743 -177.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -118.45 -31.97 4.76 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.381 -178.576 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.9 m-20 -134.63 57.41 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.69 -173.079 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 67.6 tp -76.34 -33.79 58.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.914 0.387 . . . . 0.0 111.051 -178.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -65.34 -31.13 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.079 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.36 -35.67 76.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 176.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 112' ' ' ASN . 58.9 mt -68.38 -43.47 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.6 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.05 -35.89 81.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.981 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.65 73.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.046 176.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -57.06 -44.94 83.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.761 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.17 0.05 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.59 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.2 tttp . . . . . 0 N--CA 1.449 -0.505 0 CA-C-O 121.163 0.506 . . . . 0.0 111.103 -179.343 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.74 0.305 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -76.19 -172.83 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.297 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 m -50.24 -55.02 17.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.115 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -43.2 94.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.349 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -62.28 -42.1 99.06 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.693 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.8 tp -60.91 -48.14 83.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -59.76 -34.28 72.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.359 0.599 . . . . 0.0 110.412 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.2 ttp-105 -67.32 -40.78 85.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.725 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.28 -36.56 74.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.693 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 42.7 mtm180 -64.27 -29.36 70.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.063 -178.713 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.0 m -60.63 -50.52 73.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.089 0.471 . . . . 0.0 110.906 177.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.67 -40.22 84.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.576 -176.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.34 -34.15 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.577 0.227 . . . . 0.0 111.181 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.86 -52.25 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 110.704 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -66.09 -29.49 69.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.609 -177.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 m -83.41 -45.7 13.38 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -176.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -84.98 11.35 9.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.63 0.252 . . . . 0.0 111.678 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 54.79 38.37 30.09 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.422 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.0 mm -70.71 123.17 88.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.185 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -62.46 144.04 94.19 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.751 2.301 . . . . 0.0 111.881 178.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.41 -34.27 61.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.719 177.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.71 -54.45 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.449 174.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -60.83 -37.63 82.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.654 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.6 -43.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.579 -178.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.1 mt-10 -66.05 -31.1 71.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.524 179.093 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -65.31 -48.94 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.731 177.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -57.92 -32.45 67.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -178.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.79 -36.49 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.448 . . . . 0.0 110.181 176.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -92.79 17.9 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.248 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.9 m95 51.46 43.39 29.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.055 -174.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -106.05 112.95 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.93 175.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -116.24 91.7 33.48 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.899 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 146.09 85.14 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.932 2.421 . . . . 0.0 113.079 177.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.45 81.35 8.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.971 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 44' ' ' MET . 3.4 p30 -157.02 161.9 39.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.851 176.323 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.54 -22.83 67.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.025 -0.988 . . . . 0.0 112.502 -167.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.2 m -63.23 -59.59 4.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 178.003 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.457 ' O ' HG12 ' A' ' 47' ' ' ILE . 40.7 m -57.01 -34.65 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.013 177.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.1 mtt -66.89 -52.53 42.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.055 -174.711 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.56 -29.35 69.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.196 0.522 . . . . 0.0 110.148 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.546 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 25.2 t80 -61.03 -44.35 97.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.702 175.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 43' ' ' THR . 29.8 mm -61.23 -41.91 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.77 -178.455 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 2.1 ptmt -69.63 -40.61 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.065 -177.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.1 t -56.27 -46.76 79.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.749 177.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.08 -44.11 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 110.689 179.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.557 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -68.17 -20.27 64.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.211 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -78.52 -43.4 26.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.611 175.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -65.91 -29.92 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.06 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.454 ' SD ' HD13 ' A' ' 11' ' ' LEU . 97.0 mtp -89.91 -4.58 57.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.365 -178.46 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 59.38 57.39 3.38 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.188 -177.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 6.5 mt -129.36 -21.05 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.838 -174.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.557 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.4 t80 -135.3 137.52 42.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 30.3 t70 -113.82 138.71 49.91 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.71 -19.61 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.12 0.486 . . . . 0.0 110.333 -173.208 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.467 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 53.3 m -91.28 -64.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.82 179.031 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -79.64 -13.15 59.7 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 -151.24 23.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.462 -179.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.35 123.54 14.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 123.239 2.626 . . . . 0.0 111.902 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -85.63 92.45 8.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.222 0.534 . . . . 0.0 110.084 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 82.2 t -49.25 -44.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.96 -174.769 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.81 -51.56 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.672 0.273 . . . . 0.0 111.307 -176.11 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.47 -35.04 79.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 178.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 18.8 mt -61.16 -45.26 95.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.46 -179.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 99.5 t -68.77 -38.77 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 178.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -65.23 -28.58 69.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 74' ' ' HIS . 50.7 tp60 -87.1 -60.09 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.764 -179.496 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 97.6 mt -65.49 -50.55 64.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.995 -176.407 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -79.0 26.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.519 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 71' ' ' GLN . 3.8 t60 -75.87 89.38 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.43 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.93 28.63 6.83 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.815 -174.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -157.21 169.04 25.67 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.002 0.521 . . . . 0.0 109.882 178.019 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.45 121.59 14.75 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.662 0.744 . . . . 0.0 111.109 -178.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.39 -37.83 86.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.383 -175.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -43.52 79.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.461 -174.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.24 -50.9 72.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 175.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.55 -47.36 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.285 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -54.52 -44.49 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 177.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 m -61.34 -53.36 57.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.295 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.76 -36.02 81.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.781 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.8 t -59.96 -49.98 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 174.024 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.02 -31.18 66.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.798 -178.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -75.01 -11.15 60.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.395 0.617 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.04 -8.14 17.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.301 177.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 85' ' ' VAL . 97.7 t -80.0 100.29 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.661 175.192 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.46 170.67 7.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.864 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -86.03 150.55 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.102 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -76.32 64.59 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.594 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -76.43 -18.56 58.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.142 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -73.89 -21.01 60.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.157 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 64.08 19.54 11.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.463 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -135.62 117.6 15.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.51 75.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.333 -173.144 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.6 m -63.75 -40.32 96.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.634 178.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' A' ' 103' ' ' ARG . 49.5 t-80 -77.46 -24.89 50.18 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.289 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -67.92 -51.73 44.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.897 0.38 . . . . 0.0 110.542 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.59 90.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.29 177.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.7 -27.54 65.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.484 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 72.1 ttt180 -69.82 -46.12 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.95 -178.125 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.58 -46.34 90.39 Favored Glycine 0 C--N 1.33 0.242 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.942 178.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.64 -45.71 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.028 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.38 -32.67 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.313 -175.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 110' ' ' LYS . 13.4 t -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.035 0.445 . . . . 0.0 111.424 178.421 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.411 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 34.7 t80 -72.16 -44.01 63.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -173.119 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.42 -23.28 67.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.805 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 107' ' ' CYS . 23.5 tptm -61.88 -28.96 69.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -120.22 -28.68 5.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -175.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -136.15 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -172.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.63 -29.13 45.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.107 0.479 . . . . 0.0 110.67 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 p -61.57 -39.59 91.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.6 tp -67.03 -34.22 77.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.95 -41.25 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.094 178.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.39 -39.77 74.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.088 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.92 -36.95 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.218 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.3 p -61.39 -38.55 87.45 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.3 pt -87.99 -10.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.279 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? . . . . . 0 N--CA 1.447 -0.593 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.971 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 m . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.75 0.309 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -78.33 -174.16 3.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -58.54 -39.59 80.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.741 0.305 . . . . 0.0 111.07 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.56 -45.67 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.413 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -63.47 -39.37 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 110.168 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -63.03 -36.16 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.026 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -69.27 -21.98 63.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.033 0.444 . . . . 0.0 110.578 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 20.0 tpp180 -76.48 -53.56 7.94 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.27 -41.3 98.34 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.181 -178.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -33.23 75.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.84 -176.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -62.16 -51.88 66.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.823 176.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 7.4 mt-10 -65.67 -39.98 91.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.867 -176.172 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.16 -34.51 78.24 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 120.673 0.273 . . . . 0.0 110.75 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.23 -51.55 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 t -66.64 -31.98 73.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.693 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.8 m -76.83 -48.73 17.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.035 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.4 mt -83.83 10.78 8.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.423 -176.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 54.04 34.94 20.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.526 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.05 117.98 41.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.489 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.65 144.19 97.87 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.119 2.546 . . . . 0.0 112.188 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.24 -36.13 63.21 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.947 -176.675 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.46 -48.61 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.431 0.457 . . . . 0.0 111.128 177.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -62.76 -39.05 92.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.61 -45.75 82.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.281 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.7 mt-10 -61.71 -41.12 97.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.57 -26.78 61.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.61 -176.279 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.444 ' CE2' HG23 ' A' ' 43' ' ' THR . 20.2 m-85 -79.09 -19.79 50.35 Favored 'General case' 0 C--O 1.226 -0.173 0 O-C-N 122.131 -0.355 . . . . 0.0 110.358 176.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -79.17 -11.85 59.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.446 0.641 . . . . 0.0 109.609 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -105.29 19.73 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.339 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.5 m95 50.33 47.88 23.16 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.085 -177.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -120.33 115.16 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.96 82.55 55.8 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 -176.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.87 155.55 63.31 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.117 2.545 . . . . 0.0 112.671 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.51 89.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.914 177.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.624 ' O ' ' HG3' ' A' ' 44' ' ' MET . 13.4 t70 -150.31 142.64 24.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.392 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.8 -26.29 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.667 -173.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -68.94 -47.8 64.8 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.467 0.651 . . . . 0.0 109.62 178.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.444 HG23 ' CE2' ' A' ' 32' ' ' PHE . 18.7 m -61.88 -36.35 81.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.927 178.1 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -66.82 -50.45 62.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.762 -174.488 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.27 -30.48 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.7 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.16 -49.84 76.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.472 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -61.07 -37.14 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.836 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.488 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.41 -55.16 36.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.135 179.687 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 t -54.61 -46.88 73.91 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.507 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.1 -48.58 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.171 0.51 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.73 -24.44 66.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.096 -177.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.34 -40.99 28.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.281 -179.212 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -75.85 -20.27 58.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.29 -178.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.5 mtp -88.17 5.81 39.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 56.71 42.47 26.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.117 -178.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD22 HD23 ' A' ' 68' ' ' LEU . 9.4 mt -119.99 -16.71 8.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.21 -173.637 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -144.44 137.77 27.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.946 179.108 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -127.37 146.19 50.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.559 -179.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.89 -24.98 66.17 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.884 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.1 m -94.36 -65.12 1.01 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.444 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.89 -15.29 61.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.034 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.67 -150.31 31.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.992 -177.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.82 119.85 7.37 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 0.0 111.32 176.078 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.64 88.58 5.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 69' ' ' VAL . 75.8 t -49.05 -44.82 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.445 -174.503 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.63 -54.03 51.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.76 0.314 . . . . 0.0 111.411 -177.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -65.86 -31.63 72.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 179.111 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.458 HD23 HD22 ' A' ' 56' ' ' LEU . 17.9 mt -63.44 -40.13 96.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.223 179.54 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 65' ' ' VAL . 88.9 t -72.05 -43.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 177.249 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -64.33 -22.53 66.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 0.0 111.056 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.571 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 53.9 tp60 -90.19 -60.92 1.8 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.124 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' C ' ' H ' ' A' ' 74' ' ' HIS . 91.8 mt -67.19 -41.88 85.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.595 -174.211 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -71.83 35.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.9 t-160 -64.03 82.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.355 0.662 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.41 35.83 9.21 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.197 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -148.88 169.68 19.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.565 0.182 . . . . 0.0 110.852 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 81' ' ' VAL . 35.3 m-20 -59.89 102.58 0.16 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.552 0.533 . . . . 0.0 111.168 178.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.58 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.701 -178.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.59 -40.32 91.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.386 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.93 -43.67 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 109.889 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 77' ' ' ASP . 78.8 t -57.43 -46.31 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.455 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -53.21 -42.63 66.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 177.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.7 m -63.52 -54.32 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.51 -177.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -59.71 -36.75 77.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.78 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.4 t -60.67 -50.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.689 0.28 . . . . 0.0 111.086 174.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.35 -31.23 65.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -178.033 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.54 -13.52 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.336 0.588 . . . . 0.0 110.753 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -107.55 -4.15 18.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.281 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 85' ' ' VAL . 87.2 t -84.02 111.58 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.757 174.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.2 175.26 7.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.89 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -85.19 153.1 22.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.438 -178.157 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -77.68 69.3 3.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.43 -179.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -79.13 -19.48 51.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -77.68 -19.4 55.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.138 0.494 . . . . 0.0 110.334 178.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.09 25.39 14.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.621 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -140.19 122.65 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.888 -178.724 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.04 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.599 -172.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 70.2 m -62.4 -41.19 98.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.467 178.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -77.68 -29.46 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -177.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -66.12 -51.4 58.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.456 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.24 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.512 . . . . 0.0 110.583 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.417 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.6 t80 -67.95 -30.75 70.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 -178.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -64.35 -49.31 72.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.106 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.08 98.28 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.988 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.17 -46.55 80.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.755 0.312 . . . . 0.0 111.03 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.45 -41.51 88.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -176.134 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.57 -44.35 89.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.213 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 26.2 t80 -75.88 -46.5 29.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.143 -173.483 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.82 -24.41 67.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.57 -31.44 70.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.806 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -115.0 -30.4 6.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.343 -177.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -135.15 61.33 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -171.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -76.69 -29.61 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.248 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.6 t -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.774 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.9 tp -69.3 -31.42 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.218 -178.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.02 -42.38 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.015 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.8 -42.66 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.8 177.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.02 -29.25 65.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.355 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.571 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 47.5 t -56.72 -44.12 81.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.934 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.4 pt -94.97 -3.89 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.941 0.4 . . . . 0.0 111.409 -177.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 tttm . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.377 -177.706 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 110.386 -0.228 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.7 p -80.21 179.57 7.59 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.458 177.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -52.91 -44.4 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 177.517 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.63 -42.79 97.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.107 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.07 -38.47 85.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.166 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.5 -30.25 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.61 -30.39 71.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.717 177.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 98.8 mtt180 -69.59 -58.39 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.045 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -59.19 -31.39 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.232 -176.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 39.1 mtt180 -54.47 -53.13 58.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.343 178.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -66.34 -42.07 88.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.507 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.9 mt-10 -60.61 -33.39 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.461 -178.651 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.8 m -83.68 -37.23 23.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.261 178.209 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -53.52 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -64.91 -23.21 67.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.757 -179.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.8 t -86.47 -47.3 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.289 . . . . 0.0 110.984 -177.23 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.59 12.3 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 55.19 37.25 28.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.487 -179.135 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.44 117.59 56.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.013 179.114 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -61.93 141.11 88.39 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.396 2.064 . . . . 0.0 111.47 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.17 -30.2 48.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.798 178.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -48.58 -49.74 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.296 175.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.7 m-85 -67.21 -38.87 86.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.61 177.39 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.66 -42.45 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.4 mt-10 -61.61 -35.78 78.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.153 0.502 . . . . 0.0 110.283 177.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 92.5 mttt -67.53 -47.06 71.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.751 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 14.1 m-85 -58.83 -36.13 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.431 . . . . 0.0 110.917 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -59.61 -40.68 88.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.909 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 50.7 pttt -92.77 23.04 4.35 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.8 m95 53.81 48.42 21.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.49 178.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.78 109.53 13.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -114.89 98.01 48.98 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.402 -176.511 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.84 142.25 92.81 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.483 2.122 . . . . 0.0 112.304 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.04 83.35 3.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.785 0.802 . . . . 0.0 109.817 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.7 t70 -149.11 148.17 29.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.155 -176.282 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.66 -22.17 65.07 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.893 -172.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.7 m -65.01 -55.64 17.77 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.399 0.619 . . . . 0.0 110.13 176.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.449 HG23 ' CE1' ' A' ' 32' ' ' PHE . 22.7 m -59.48 -33.55 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.148 178.719 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.42 -50.88 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.759 -173.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.88 -28.59 68.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.414 178.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.516 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 t80 -60.15 -50.51 73.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 110.181 174.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mm -60.26 -39.65 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.453 178.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -60.35 -54.75 41.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.429 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.8 t -55.98 -47.97 76.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.637 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -43.52 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.016 0.436 . . . . 0.0 110.943 -179.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.5 m-30 -65.7 -24.54 67.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -77.93 -43.61 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 177.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -69.2 -27.06 65.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.288 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 91.1 mtp -87.53 0.32 55.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.074 0.464 . . . . 0.0 110.75 177.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 55.02 46.94 23.2 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.514 -178.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.4 mt -117.64 -14.05 10.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.044 -175.151 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 88.0 t80 -138.94 143.32 38.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.313 179.246 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 27.5 t70 -127.78 139.82 52.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.99 177.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.75 -26.85 66.02 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.033 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.43 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 43.8 m -93.58 -65.68 0.97 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.673 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.66 -146.09 22.2 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.732 -174.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 123.74 14.39 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.96 2.44 . . . . 0.0 112.017 177.012 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.46 93.27 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.951 -179.654 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 73.8 t -51.67 -45.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.519 -174.074 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 29.9 t70 -59.0 -56.78 17.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.613 0.244 . . . . 0.0 111.159 -177.54 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.14 -33.65 73.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 0.0 110.624 179.008 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.95 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.377 179.33 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 65' ' ' VAL . 60.2 t -70.03 -42.67 79.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.651 177.558 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.467 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 35.2 m-70 -58.33 -33.16 69.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.859 0.361 . . . . 0.0 111.211 178.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -85.57 -60.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -178.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 91.7 mt -64.15 -42.17 96.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.615 -173.325 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.72 35.18 0.09 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' A' ' 72' ' ' LEU . 60.5 t-80 -61.66 88.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.16 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.03 33.55 32.66 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.577 179.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -145.56 169.52 18.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.416 0.15 . . . . 0.0 110.937 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.19 105.66 0.3 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.997 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.23 73.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.333 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.8 -46.4 82.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.57 -48.09 82.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.205 0.526 . . . . 0.0 110.047 177.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.4 -48.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.344 179.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -55.06 -45.23 75.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.485 177.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -63.54 -47.02 83.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.787 -177.682 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.49 -42.87 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.395 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 89' ' ' VAL . 36.4 t -58.07 -52.35 59.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.239 176.669 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.0 mt -58.45 -29.69 66.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.59 -20.16 63.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.55 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.3 m -104.65 -13.56 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.925 -179.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.6 t -69.86 124.25 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.541 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -141.53 168.24 20.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.662 -176.522 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -88.55 152.45 21.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.821 -175.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -81.43 67.08 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.503 0.668 . . . . 0.0 110.549 -177.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.3 p -78.11 -26.87 48.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.031 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD1' ' A' ' 99' ' ' HIS . 8.3 p-10 -80.91 -13.23 59.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 -178.152 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.1 t30 66.09 40.16 4.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.634 169.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 171.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.108 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.2 m -61.92 -38.4 88.26 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.589 -0.444 . . . . 0.0 109.807 174.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.412 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 26.9 t-80 -83.24 -24.71 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.329 -177.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -63.91 -53.8 44.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.745 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.63 87.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 177.29 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -68.09 -33.65 74.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.93 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -73.23 -37.05 66.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.21 -177.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.09 94.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.334 175.235 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -64.97 -49.16 71.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.545 -0.328 . . . . 0.0 110.933 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.105 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.53 -44.37 96.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.289 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -74.87 -48.37 25.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.935 -173.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -19.17 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.482 -178.69 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.18 -30.51 70.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.485 . . . . 0.0 110.447 178.106 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.97 -34.61 5.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.286 -175.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -134.83 68.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.708 -171.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.29 -33.45 20.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 111.448 -177.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 m -66.15 -31.3 72.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -178.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.89 -35.8 81.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.264 0.554 . . . . 0.0 109.786 174.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.61 -42.04 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.129 179.526 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.81 -40.11 94.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.718 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.92 -33.66 66.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.141 -178.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.448 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 88.9 p -62.08 -38.2 87.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.578 -177.137 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.6 pt -92.05 1.16 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 111.199 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.72 -179.918 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.448 -0.555 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.3 p -67.01 176.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.848 -174.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 4.6 m -55.23 -41.77 72.53 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 176.147 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.186 178.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.43 -40.01 96.03 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.996 0.426 . . . . 0.0 110.001 176.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 67.1 tp -62.93 -35.04 78.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.558 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 98.3 mt-30 -67.01 -19.26 65.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.571 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -75.29 -42.99 53.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.513 178.019 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.84 -21.33 57.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG3' ' HA ' ' A' ' 12' ' ' GLN . 13.1 mmm180 -50.27 -65.87 0.49 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.787 172.668 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -53.95 -48.68 70.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.212 -178.033 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -54.15 39.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.036 0.446 . . . . 0.0 110.887 -178.048 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.13 -32.33 66.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -177.589 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -66.78 -53.48 34.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.682 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -63.84 -38.96 93.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.361 -177.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.4 m -75.47 -44.68 42.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -176.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.33 8.11 19.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -177.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 56.14 33.99 23.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.511 178.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -62.48 122.51 74.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -59.74 139.88 90.72 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.605 2.204 . . . . 0.0 111.545 177.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -33.46 62.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.731 -177.188 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.17 -52.21 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 176.424 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -58.3 -38.88 77.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 177.149 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.72 -48.02 84.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.4 mt-10 -62.78 -36.86 84.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.387 0.613 . . . . 0.0 110.019 178.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.571 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.11 -37.66 69.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.377 -176.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.06 -31.95 73.13 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.228 0.537 . . . . 0.0 110.022 175.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.115 178.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -89.39 21.43 3.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.075 178.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.7 m95 51.64 41.91 29.24 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.242 -176.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 61.4 mt-10 -104.41 109.83 21.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.647 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -119.34 85.4 31.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.433 -179.088 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -63.1 155.02 63.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.906 2.404 . . . . 0.0 112.209 175.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.84 81.58 5.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.945 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.5 t70 -145.8 143.56 29.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.224 -177.316 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.03 -30.49 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.669 -174.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.0 m -60.51 -56.34 22.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.169 0.509 . . . . 0.0 110.359 177.13 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -56.08 -36.9 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.044 176.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -67.29 -47.45 70.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.417 -176.086 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.75 -31.98 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.85 -50.15 74.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.223 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.02 -40.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 14.4 tmtt? -60.2 -52.67 64.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.473 -179.154 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.74 -48.14 82.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.685 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.3 -47.94 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.867 0.365 . . . . 0.0 111.407 -177.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -63.09 -28.96 70.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 110.668 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.59 -42.87 61.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.498 177.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -72.1 -23.6 61.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.243 -176.649 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -89.0 5.16 45.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.306 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.53 41.18 26.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.435 -178.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD22 HD23 ' A' ' 68' ' ' LEU . 7.4 mt -119.13 -17.1 9.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 -174.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.0 t80 -139.73 137.64 35.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.953 179.194 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.0 t70 -121.81 142.58 50.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.112 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.79 -12.45 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.789 0.328 . . . . 0.0 111.188 -173.153 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.432 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 19.0 m -98.55 -62.12 1.28 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.008 177.45 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.66 -27.0 61.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.515 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 -152.56 20.8 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.849 -174.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.09 124.51 16.38 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.952 2.435 . . . . 0.0 111.624 176.143 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -82.99 85.49 7.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.5 t -49.38 -42.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.307 -174.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.01 -54.45 46.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.297 -177.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.4 -34.34 77.96 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 177.675 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 HD22 ' A' ' 56' ' ' LEU . 17.7 mt -60.46 -45.3 94.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.45 -179.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.7 t -68.66 -42.21 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 110.605 177.616 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -60.93 -28.42 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.29 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.552 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 5.9 tp60 -90.26 -58.5 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.408 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.663 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 98.7 mt -64.85 -36.18 83.51 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -174.238 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -77.74 33.91 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.813 178.031 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.83 79.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.986 178.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.55 27.27 8.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.244 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.401 ' HD2' HD13 ' A' ' 115' ' ' LEU . 25.8 mtt180 -145.87 163.59 34.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.5 . . . . 0.0 111.58 -179.407 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.13 110.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.732 177.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.73 74.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.123 -176.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.32 -45.89 91.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.337 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -61.26 -46.75 89.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.086 0.469 . . . . 0.0 110.369 176.398 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -59.24 -50.02 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.709 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -56.7 -44.2 81.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.714 0.292 . . . . 0.0 110.676 179.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -63.3 -51.77 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.63 -37.86 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.488 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' VAL . 30.9 t -61.61 -50.89 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.711 174.217 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.63 -32.67 69.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.756 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -17.26 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 110.759 177.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.38 -14.58 16.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.374 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 85' ' ' VAL . 65.1 t -79.09 120.44 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.541 174.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -145.77 -179.35 6.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.081 178.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -77.04 157.63 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.259 0.552 . . . . 0.0 111.338 -174.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -79.23 72.0 5.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.509 179.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.6 p -78.1 -19.3 54.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.482 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.11 -17.08 57.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 61.23 20.99 11.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.724 -179.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -141.25 127.26 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.38 -34.75 78.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.276 -173.562 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 64.3 m -62.85 -39.47 94.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 109.988 176.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -75.41 -32.2 60.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.049 -178.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -69.98 -52.07 27.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.662 -176.135 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.404 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -62.89 -36.25 82.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.323 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.45 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 68.4 t80 -70.46 -27.85 64.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.588 -179.316 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -68.56 -42.12 78.79 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.76 -42.63 93.01 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.55 178.173 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.553 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 20.6 t80 -65.04 -46.35 81.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.6 -179.249 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -55.35 -54.38 44.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.54 -41.37 80.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.785 -176.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.55 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.7 t80 -76.93 -47.0 22.23 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.624 -173.21 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 105' ' ' PHE . 6.1 pt20 -66.28 -21.85 66.29 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.969 0.414 . . . . 0.0 110.767 -177.838 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 110' ' ' LYS . 1.5 tmtp? -63.71 -30.6 71.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.004 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -110.55 -30.61 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.5 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.506 ' O ' HG13 ' A' ' 116' ' ' ILE . 89.0 m-20 -137.0 66.12 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.209 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.2 tp -82.9 -36.8 25.01 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.925 178.611 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.0 m -63.72 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.778 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.401 HD13 ' HD2' ' A' ' 76' ' ' ARG . 58.9 tp -66.53 -37.32 84.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.377 177.017 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 112' ' ' ASN . 65.4 mt -62.16 -42.89 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.008 179.155 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.92 -32.03 73.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.829 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.83 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.646 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.663 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 19.5 m -61.98 -40.38 95.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.234 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.4 pt -90.84 4.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.282 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.045 0.45 . . . . 0.0 110.853 -178.019 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.2 p -76.82 -179.88 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 m -58.64 -38.92 79.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.008 0.433 . . . . 0.0 110.586 177.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.501 ' HA ' HE21 ' A' ' 12' ' ' GLN . 1.6 mp0 -60.73 -46.35 90.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.752 177.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.63 -40.94 98.57 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.975 0.417 . . . . 0.0 110.081 177.065 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.5 tp -59.15 -42.37 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.416 -176.642 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.501 HE21 ' HA ' ' A' ' 9' ' ' GLU . 50.5 mt-30 -60.11 -34.22 73.19 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.187 0.518 . . . . 0.0 110.892 -178.178 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.5 ttp-105 -65.04 -44.25 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.647 178.491 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -73.1 -34.93 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.816 -174.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 8.5 mtm180 -63.8 -39.44 94.24 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.441 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -59.24 -50.5 73.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.279 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.8 mm-40 -64.28 -44.14 92.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.52 -52.11 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.914 0.388 . . . . 0.0 110.613 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 p -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.563 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.7 t -72.43 -45.96 57.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.695 0.283 . . . . 0.0 110.94 -177.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.71 6.85 29.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.382 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 m120 54.51 35.57 23.7 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.793 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.2 mm -63.79 123.15 80.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.297 178.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -62.84 137.4 62.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.514 2.142 . . . . 0.0 111.437 177.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.6 -32.62 59.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.949 -172.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.09 -44.84 91.96 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.002 0.189 . . . . 0.0 111.261 -178.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.6 m-85 -60.12 -42.54 95.0 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-O 120.792 0.33 . . . . 0.0 110.726 174.509 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.74 -46.74 86.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.747 -175.085 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.7 mt-10 -63.35 -37.51 87.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.201 178.467 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -74.44 -23.88 58.99 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.931 -174.27 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 23.3 m-85 -69.28 -32.54 71.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 177.318 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -70.38 -19.15 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.716 -178.275 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -86.37 9.73 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.169 175.284 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.451 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 99.5 m95 60.68 45.16 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.989 -178.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.66 109.89 13.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.196 176.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -114.27 96.04 41.21 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.575 -176.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.05 146.05 98.2 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.742 2.295 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.46 81.01 5.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.614 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -146.62 146.51 30.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.34 -175.353 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -48.28 -42.91 32.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.432 0.458 . . . . 0.0 111.925 -176.244 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.5 m -52.52 -58.32 7.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.376 -178.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.408 HG23 ' CE2' ' A' ' 32' ' ' PHE . 21.7 m -59.84 -33.15 71.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.337 179.51 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.84 -52.95 30.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.961 -173.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.2 m -63.96 -30.6 71.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.292 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -61.46 -50.36 73.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.4 mm -59.14 -40.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.948 178.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -49.11 74.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 t -58.29 -47.53 83.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.504 177.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.9 -48.91 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 121.058 0.456 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-30 -63.89 -26.39 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.787 -178.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -76.71 -40.05 49.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.307 -179.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -75.51 -19.39 59.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.246 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.0 7.72 36.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.487 178.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 55.48 40.85 31.29 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.182 -178.405 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.439 HD22 HD23 ' A' ' 68' ' ' LEU . 6.8 mt -120.61 -20.96 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.477 0.656 . . . . 0.0 110.966 -174.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 62.8 t80 -140.02 133.98 30.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.078 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.24 133.31 46.0 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 177.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.79 -21.09 60.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.775 -173.504 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -110.36 -53.67 2.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.92 -0.45 54.24 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.69 -155.87 35.97 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.836 172.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -61.21 129.29 27.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.048 2.499 . . . . 0.0 111.798 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.5 mt -94.22 92.08 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.356 0.598 . . . . 0.0 109.431 178.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 69' ' ' VAL . 84.0 t -50.62 -44.31 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.768 -172.355 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.434 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 7.7 m-20 -57.98 -54.49 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -177.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.06 -35.36 78.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.607 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.439 HD23 HD22 ' A' ' 56' ' ' LEU . 17.4 mt -60.56 -43.8 96.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.537 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 65' ' ' VAL . 60.7 t -69.63 -40.33 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.841 178.566 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.434 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 59.8 m-70 -60.71 -31.04 70.34 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.225 178.59 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -88.21 -54.86 3.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 -177.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.633 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 96.2 mt -69.03 -48.23 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.102 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.69 33.4 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.633 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -73.46 104.91 4.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.057 -0.402 . . . . 0.0 110.212 175.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.48 17.64 54.49 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.542 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HD2' HD13 ' A' ' 115' ' ' LEU . 25.9 mtt180 -145.98 165.37 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.724 0.297 . . . . 0.0 111.459 -178.276 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.76 109.46 1.43 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.501 179.144 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.31 -34.13 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.309 178.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.27 -48.85 79.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.236 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 7.2 mm-40 -69.29 -44.86 70.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.6 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.84 -48.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.224 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -57.86 -42.14 83.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.88 0.372 . . . . 0.0 110.589 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -61.77 -53.8 51.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 36.8 mt-10 -58.84 -41.02 85.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.414 178.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.8 t -57.9 -49.49 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 175.286 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.14 -29.76 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.905 -178.338 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.04 -16.9 62.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 110.447 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.5 m -103.9 -14.54 15.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.441 -179.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.4 t -74.61 128.97 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.775 174.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.99 163.47 29.15 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.95 -178.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -78.29 157.22 29.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.197 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -81.55 59.19 4.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.469 0.652 . . . . 0.0 110.529 -178.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.0 p -77.69 -14.86 59.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.067 175.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 20.6 t70 -77.65 -21.68 51.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.045 178.574 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 61.0 26.49 16.45 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.759 177.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.426 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 19.3 t-20 -146.67 122.49 10.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.142 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.222 -174.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 65.0 m -64.11 -47.87 78.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.663 0.268 . . . . 0.0 110.917 -178.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.564 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 8.1 t-160 -78.75 -25.92 44.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -176.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -64.5 -56.56 13.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 178.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . . . -61.72 -37.11 83.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.161 0.505 . . . . 0.0 110.464 179.269 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.446 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 69.9 t80 -67.45 -32.44 73.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.961 -178.712 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 51.9 mtm180 -67.22 -41.14 86.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 179.076 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.99 -47.05 86.89 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.554 178.659 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.82 -46.71 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.455 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -59.14 -47.08 86.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.109 -177.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.6 t -58.97 -43.07 91.3 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.041 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.7 t80 -74.53 -49.83 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.886 -174.613 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -16.94 64.36 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.685 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -69.36 -30.19 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.857 0.361 . . . . 0.0 110.176 177.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -115.05 -28.65 6.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.601 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -135.75 68.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.193 -172.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.3 tp -88.89 -33.56 17.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.504 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -64.34 -33.74 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.996 0.427 . . . . 0.0 110.102 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 76' ' ' ARG . 56.3 tp -63.91 -40.01 95.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.029 176.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -42.97 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.788 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 96.5 mttt -62.01 -40.86 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 178.33 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.37 -29.32 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.834 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.633 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 49.2 m -60.06 -39.18 85.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.818 -178.411 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.8 pt -91.9 -5.43 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.415 -177.542 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.5 p -110.26 176.65 4.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.615 -176.191 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 35.6 m -58.36 -57.69 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -176.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.95 -38.83 87.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.012 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -36.45 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.039 0.447 . . . . 0.0 110.145 179.488 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.68 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 52.8 tp -59.19 -39.19 81.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.515 172.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 8' ' ' THR . 16.0 mm100 -55.09 -32.61 62.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.183 0.516 . . . . 0.0 111.47 -178.099 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.0 ttt180 -68.5 -46.41 69.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.468 -178.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 36.1 m-85 -67.02 -38.36 85.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.996 -177.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.2 mtp180 -58.29 -45.68 87.48 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -59.05 -51.4 70.22 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.873 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.2 mm-40 -58.59 -41.12 85.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.414 ' SG ' HG12 ' A' ' 50' ' ' VAL . 95.2 m -70.4 -30.09 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.331 . . . . 0.0 110.984 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.07 -51.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.283 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 t -66.69 -36.0 81.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.281 -179.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 t -72.46 -49.68 31.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.712 0.292 . . . . 0.0 111.335 -176.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -87.54 6.49 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.385 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 55.66 39.87 30.91 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.199 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.5 mm -62.51 124.73 83.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.664 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -61.8 141.26 89.63 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.84 2.36 . . . . 0.0 111.28 177.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -53.32 -34.96 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.378 -175.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.03 -51.11 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.277 0.361 . . . . 0.0 111.246 179.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -56.88 -42.72 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.924 176.643 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.7 t -58.12 -45.82 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.419 -177.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.6 mt-10 -65.78 -35.89 81.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 110.281 178.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HG3' ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -74.87 -27.12 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.104 -174.671 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -69.2 -22.04 63.92 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.39 . . . . 0.0 110.49 178.124 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.16 -27.4 65.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.924 0.392 . . . . 0.0 110.229 178.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -96.98 24.6 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.288 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 51.0 42.31 28.28 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.239 -179.515 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 38.7 mt-10 -108.23 112.89 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.276 176.335 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.33 90.26 41.83 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.93 144.21 94.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.777 2.318 . . . . 0.0 112.723 177.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -86.84 77.72 9.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.665 -178.357 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.6 OUTLIER -154.34 165.75 35.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.915 179.096 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.31 -42.85 15.28 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -53.64 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.105 0.479 . . . . 0.0 111.631 -174.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 m -61.12 -33.94 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.585 -178.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.529 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.8 mtt -64.54 -54.24 35.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.69 -174.007 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.6 m -67.87 -28.87 67.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' VAL . 41.1 t80 -60.07 -52.23 66.25 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.297 176.481 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.27 -42.69 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.907 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HD2' ' HB1' ' A' ' 97' ' ' ALA . 19.1 ttpp -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -178.018 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -57.44 -50.05 74.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.134 -178.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' TYR . 0.6 OUTLIER -70.35 -30.04 41.51 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.335 -175.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-85 -71.72 -29.97 65.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.641 179.398 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -72.84 -41.32 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.01 175.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 66.1 mttm -71.12 -29.96 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.229 -178.658 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.0 mtp -84.93 1.16 48.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.381 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 57.58 44.21 21.34 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD11 ' HG2' ' A' ' 71' ' ' GLN . 5.8 mt -118.63 -22.3 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.004 -175.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 72.3 t80 -133.67 132.66 40.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.108 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -101.78 132.16 47.68 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.7 -16.62 63.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -171.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.9 m -103.56 -60.37 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.153 178.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -79.59 -8.56 59.26 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -174.187 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.21 -153.83 26.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.308 -0.949 . . . . 0.0 113.204 177.329 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -60.19 124.48 15.32 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.042 2.495 . . . . 0.0 111.951 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 mt -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.3 t -51.87 -43.94 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.589 -173.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.35 -49.46 77.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.627 0.251 . . . . 0.0 111.378 -177.432 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -66.29 -37.06 84.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 178.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.404 HD23 HD22 ' A' ' 56' ' ' LEU . 19.2 mt -60.12 -45.69 92.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.255 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -68.74 -44.7 82.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.122 178.639 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -62.22 -26.98 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 111.15 179.097 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.426 ' HG2' HD11 ' A' ' 56' ' ' LEU . 32.5 tp60 -82.28 -60.79 2.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.247 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.07 -49.63 66.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.493 -177.114 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 81' ' ' VAL . . . -81.22 33.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -175.586 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.422 ' NE2' ' HA ' ' A' ' 119' ' ' SER . 1.7 p80 -73.39 82.8 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.135 0.969 . . . . 0.0 110.472 -178.782 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.97 26.71 7.77 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.447 -174.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -141.86 169.71 17.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.53 104.51 0.81 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.358 0.599 . . . . 0.0 111.427 178.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.75 67.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.206 178.672 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.97 -43.26 96.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.13 -178.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -71.08 -46.22 62.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.193 0.52 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 73' ' ' ALA . 71.4 t -60.32 -46.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.746 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.76 -44.52 86.19 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.652 177.385 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 m -59.39 -49.61 77.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.0 -45.55 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 178.178 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.8 t -56.43 -49.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 177.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.17 -31.63 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.665 -177.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.26 -22.36 66.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 0.0 110.468 178.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.4 m -104.39 -13.4 16.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.329 -175.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 85' ' ' VAL . 98.7 t -70.82 113.33 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.985 0.422 . . . . 0.0 109.988 176.044 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -121.64 166.94 13.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.252 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -84.25 153.72 23.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.896 -177.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -79.78 73.81 6.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.586 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.3 p -87.21 -9.49 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.679 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.97 -19.55 25.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 178.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.89 20.63 12.17 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.77 -176.468 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.86 118.78 20.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.725 -178.417 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 48' ' ' LYS . . . -67.13 -34.51 77.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.099 -172.617 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.47 -45.5 93.98 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.957 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -76.65 -24.97 53.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.174 -176.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -69.13 -54.41 15.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.63 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.2 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.281 0.562 . . . . 0.0 110.399 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.65 -30.86 71.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.539 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -66.16 -46.34 77.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.854 0.359 . . . . 0.0 110.435 178.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.14 -46.37 94.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.906 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.43 -47.17 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.732 0.301 . . . . 0.0 111.024 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -60.68 -45.48 93.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.201 -177.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.32 -43.99 97.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.23 -46.73 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.921 -173.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -67.63 -18.32 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.333 . . . . 0.0 111.527 -177.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -70.29 -26.12 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.93 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -123.21 -29.65 3.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.821 -175.224 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -133.49 63.71 1.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.158 0.504 . . . . 0.0 110.953 -173.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.37 -25.34 29.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 -178.715 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.0 m -64.92 -39.08 92.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.567 179.367 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.2 -33.02 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.034 0.445 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.55 -45.09 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.977 178.264 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.42 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 177.173 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.2 73.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.731 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.422 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 20.6 t -63.5 -40.2 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.415 -178.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.9 pt -98.57 6.13 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.622 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.0 tttp . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 111.329 -177.011 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 120.747 0.308 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.7 p -82.42 -179.75 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -57.03 -40.03 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 110.446 178.207 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -58.34 -42.55 87.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.964 178.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -76.18 -38.87 56.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 -177.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 62.8 tp -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.695 -175.032 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -69.69 -23.63 63.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 110.719 -177.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.1 -53.54 24.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.115 177.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -66.16 -38.69 88.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.159 0.504 . . . . 0.0 110.743 -178.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.681 -179.374 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -60.86 -50.65 72.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.091 176.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' HE3' ' A' ' 53' ' ' LYS . 6.5 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.667 -176.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 99.8 m -65.62 -33.18 75.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.3 -50.87 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 CA-C-O 121.09 0.471 . . . . 0.0 110.077 178.007 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -62.0 -44.93 95.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.456 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 t -69.58 -48.63 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.704 -175.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.76 8.57 11.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 -175.168 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 55.54 37.43 28.87 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.782 0.676 . . . . 0.0 111.349 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.32 122.6 82.34 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.97 143.64 91.51 Favored 'Trans proline' 0 C--O 1.237 0.456 0 C-N-CA 122.735 2.29 . . . . 0.0 111.543 176.3 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.15 -31.22 61.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.11 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.25 -54.3 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.571 175.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 44.1 m-85 -64.36 -36.98 85.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.678 179.012 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.67 -44.33 76.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.648 -178.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 9.0 mt-10 -64.62 -36.85 85.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.512 179.335 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.7 -46.58 81.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.774 -178.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 13.6 m-85 -58.58 -41.22 85.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -61.38 -33.48 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.714 -178.172 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -88.92 17.93 5.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.9 m95 55.54 49.52 16.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.611 -177.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -126.82 109.43 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.572 176.694 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -115.73 98.52 51.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -175.325 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -62.79 147.68 94.37 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.97 2.447 . . . . 0.0 113.221 177.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.82 80.29 8.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.051 178.364 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.596 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -153.76 159.75 42.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -178.639 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.03 -45.08 51.78 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.077 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -53.38 -60.14 3.68 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.464 0.478 . . . . 0.0 111.386 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.7 m -59.84 -35.41 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.447 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 67.2 mtt -65.69 -53.16 44.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.593 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.45 -27.59 66.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.678 -179.212 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -60.89 -49.85 75.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.25 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.48 -37.72 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.668 178.514 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.4 tmmm? -61.55 -54.32 44.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.367 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.44 -49.14 73.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.579 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.95 -47.7 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 121.164 0.507 . . . . 0.0 110.792 -177.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -67.4 -25.39 65.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.106 -177.633 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -79.67 -39.9 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 mttm -67.8 -33.48 74.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.603 179.264 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.8 mtp -84.8 9.88 12.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.505 -179.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 55.8 43.91 26.94 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.61 177.492 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 68' ' ' LEU . 8.9 mt -122.56 -17.61 6.91 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.409 -174.448 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 73.2 t80 -142.95 140.28 31.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 178.78 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -124.11 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.118 178.079 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.16 -17.99 65.07 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.9 m -100.36 -62.48 1.24 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.488 -179.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.22 -15.26 58.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -175.437 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.11 -151.27 28.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.376 -178.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -62.61 123.98 13.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.996 2.464 . . . . 0.0 111.847 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -83.41 95.14 8.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.3 t -50.08 -45.91 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.646 -174.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.3 -51.58 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.756 0.313 . . . . 0.0 111.109 -177.345 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -58.44 -37.83 76.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.194 0.521 . . . . 0.0 110.303 177.51 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 56' ' ' LEU . 15.4 mt -61.91 -40.49 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.38 -179.019 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 65' ' ' VAL . 62.0 t -71.68 -40.99 71.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.53 177.451 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -60.12 -29.83 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.661 179.411 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -60.35 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.691 -179.304 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 74' ' ' HIS . 86.3 mt -61.82 -40.45 95.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -174.03 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.76 33.77 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.07 0.462 . . . . 0.0 111.888 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.477 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.6 t-80 -70.77 79.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.793 177.761 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 30.57 6.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.743 179.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -154.01 169.3 23.83 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 111.265 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 81' ' ' VAL . 14.1 m-20 -64.87 110.93 2.6 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.984 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.97 -39.11 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.52 -177.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -43.47 98.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 0.0 111.286 -178.307 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.57 -45.26 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 77' ' ' ASP . 95.2 t -57.65 -49.02 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.334 178.251 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -56.45 -44.06 80.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -60.67 -52.61 64.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.245 -177.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -56.89 -42.0 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.8 t -61.0 -50.09 82.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.35 177.525 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.04 -32.73 64.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.119 -176.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -77.94 -4.69 48.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 111.033 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 32.9 m -112.88 -7.12 13.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.408 175.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 85' ' ' VAL . 91.4 t -89.3 102.77 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.008 175.718 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -124.51 179.4 4.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.513 179.035 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -77.77 153.37 32.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.0 111.891 -175.662 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.437 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 50.6 t30 -78.86 75.84 5.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.194 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -83.16 -21.12 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.691 -175.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.581 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 7.4 p-10 -86.8 -13.46 45.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.33 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 65.08 25.39 12.53 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.253 174.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -133.04 112.36 11.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.297 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.88 -29.96 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.297 -175.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.7 m -66.64 -38.95 87.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 110.847 178.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.581 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 7.0 t-160 -84.32 -28.4 27.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -176.093 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.437 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -63.79 -52.82 58.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.097 177.633 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.87 88.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 177.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -67.77 -33.86 75.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.959 -179.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -73.56 -39.82 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.256 -178.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.27 -45.43 95.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.458 177.055 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -65.84 -46.5 78.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.376 -0.412 . . . . 0.0 111.034 -179.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -69.03 -34.86 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 -175.275 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.613 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -73.15 -50.8 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -174.241 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -19.55 64.7 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.08 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -68.43 -29.84 68.6 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.514 -179.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.45 -29.92 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -176.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -135.72 68.82 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 0.0 111.368 -172.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.1 tp -85.2 -32.2 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -62.36 -35.57 79.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 -178.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.02 -36.07 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 177.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -40.13 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.291 0.567 . . . . 0.0 110.121 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -64.23 -47.24 80.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.765 177.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.47 -28.77 68.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.525 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.446 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 16.8 t -59.82 -44.62 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.36 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.9 pt -95.24 -1.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.945 0.403 . . . . 0.0 111.218 -178.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 84.1 tttt . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.59 -178.681 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.6 p -79.97 179.38 7.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.423 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 5.8 m -54.6 -41.54 70.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.93 178.294 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.92 -44.86 91.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.927 -179.024 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 109.875 178.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.63 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 64.1 tp -58.44 -38.6 77.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 8' ' ' THR . 81.4 mm-40 -61.71 -26.86 68.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -176.587 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -77.85 -41.67 36.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.912 179.65 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -67.91 -28.54 67.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.283 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 27.7 mtp180 -59.25 -53.72 55.09 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.525 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -57.14 -49.09 77.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.538 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -71.77 -33.26 68.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.148 178.695 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.33 -52.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 110.365 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 t -64.53 -36.83 85.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.562 -178.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.9 m -73.31 -45.42 55.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.388 -177.197 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.94 6.94 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -176.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 57.34 34.53 24.84 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.72 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.1 mm -64.14 122.05 75.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.77 143.43 99.39 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.944 2.429 . . . . 0.0 111.978 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -30.0 57.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.794 -178.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.81 -54.34 24.48 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.563 0.539 . . . . 0.0 111.396 177.221 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 56.8 m-85 -61.82 -36.56 81.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.43 179.175 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.46 -43.81 87.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.481 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.1 mt-10 -59.9 -36.39 76.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.3 178.45 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.96 -46.47 71.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.046 -179.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.7 m-85 -58.68 -34.07 70.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.15 -24.27 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 0.0 110.623 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -105.52 17.12 24.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.368 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.7 m95 53.87 41.52 32.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.285 -177.212 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -110.86 113.15 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.132 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.64 93.73 34.12 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.291 -177.468 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.74 145.07 91.73 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.588 2.192 . . . . 0.0 112.602 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -79.04 78.49 5.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.189 0.995 . . . . 0.0 109.606 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' A' ' 44' ' ' MET . 14.5 t70 -143.98 145.52 32.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.077 -175.211 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.2 -28.8 65.14 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.562 0.539 . . . . 0.0 111.348 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -59.43 -57.34 13.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.052 0.454 . . . . 0.0 110.64 176.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.8 m -59.04 -34.17 71.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.155 178.035 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.4 mtt -67.18 -47.04 72.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.57 -174.092 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.05 -49.43 77.93 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.264 176.313 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.02 -39.83 83.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.832 178.181 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -61.0 -50.11 74.72 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.331 -179.237 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.9 t -59.31 -47.93 83.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.7 t -61.4 -47.19 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.502 . . . . 0.0 111.015 -177.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -63.37 -27.92 69.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.689 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -79.29 -39.88 31.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.994 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -68.76 -27.02 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.617 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.54 8.89 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.601 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 54.75 48.57 19.89 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 7.1 mt -124.87 -17.38 5.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.195 -176.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 70.4 t80 -139.18 144.13 38.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.507 178.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -123.26 137.79 54.78 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.61 -12.83 61.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.0 m -103.5 -63.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 111.568 177.035 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.43 -8.98 58.58 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -174.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.93 -144.27 27.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.342 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.64 123.72 10.42 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.392 2.062 . . . . 0.0 111.764 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.2 mt -83.16 90.83 7.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.767 -178.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.4 t -49.32 -43.98 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.823 -1.081 . . . . 0.0 112.78 -174.369 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.53 -49.93 73.38 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -176.36 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.02 -35.48 80.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.987 0.423 . . . . 0.0 110.326 177.305 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 18.3 mt -58.9 -48.98 79.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.281 179.638 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.18 -38.78 78.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 177.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -57.49 -34.67 69.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.765 178.355 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.623 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 7.9 tp60 -89.73 -56.32 3.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.525 -177.101 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 94.8 mt -62.96 -43.21 99.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.378 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.11 34.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -73.4 86.58 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 30.44 7.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 178.542 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HD2' HD13 ' A' ' 115' ' ' LEU . 21.1 mtt180 -153.26 167.6 28.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 110.677 178.531 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.51 108.48 0.97 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.713 178.218 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.41 66.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.195 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.76 -52.55 64.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.118 178.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.66 -43.21 85.16 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.243 -178.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.6 t -57.33 -48.86 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -55.82 -46.09 78.18 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 110.714 177.195 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -62.0 -49.62 75.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.21 -178.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.05 -43.59 91.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.667 178.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 89' ' ' VAL . 29.4 t -56.96 -48.88 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 175.87 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.33 -27.35 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.906 -177.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.96 -14.05 62.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 110.618 177.352 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 m -109.95 -11.1 14.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.734 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 85' ' ' VAL . 59.5 t -82.86 133.08 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.111 176.691 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -158.55 162.83 37.42 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.39 154.68 41.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.079 0.466 . . . . 0.0 111.277 -176.142 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -73.53 74.68 1.46 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.584 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.3 p -80.83 -23.21 39.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.27 -19.49 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.554 -177.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 65.54 22.6 11.79 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.506 178.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -139.06 114.28 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.321 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.65 70.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.929 -174.218 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -63.05 -42.16 99.66 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.611 178.151 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -81.72 -24.72 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -62.78 -54.57 37.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.173 177.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.88 93.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.725 178.629 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.478 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.1 t80 -65.39 -33.59 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.817 -178.053 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -67.81 -37.52 82.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.668 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.08 -44.56 91.09 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.553 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -66.66 -48.83 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.24 . . . . 0.0 110.883 -179.379 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -60.5 -45.51 93.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -177.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.83 -44.53 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.091 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 23.4 t80 -75.62 -46.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.988 -174.075 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 1.9 pp0? -69.77 -13.02 62.07 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.834 0.349 . . . . 0.0 111.562 -177.511 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.011 0.434 . . . . 0.0 110.32 178.061 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -113.87 -26.82 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.436 -173.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -132.94 61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.983 0.42 . . . . 0.0 110.935 -174.26 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 109' ' ' GLN . 56.1 tp -83.02 -31.12 27.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.994 0.426 . . . . 0.0 111.108 -178.704 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -64.69 -35.1 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.088 -178.848 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' A' ' 76' ' ' ARG . 42.3 tp -66.9 -32.82 74.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 178.33 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.87 -41.13 84.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.186 178.096 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -66.76 -40.54 88.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.809 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -24.57 59.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.311 178.414 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.623 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 27.5 t -63.5 -45.1 92.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.399 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.99 -1.65 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.201 0.524 . . . . 0.0 111.303 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.949 -176.578 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptm . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.547 0.689 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -89.96 112.0 23.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.142 -172.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -100.92 119.15 38.29 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.209 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.03 112.75 25.74 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.348 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.401 HG13 ' H ' ' A' ' 5' ' ' VAL . 0.8 OUTLIER -70.29 139.64 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.256 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 p -88.16 107.58 18.84 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.8 p -82.16 -179.95 7.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.648 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.8 m -60.67 -35.76 77.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.991 0.424 . . . . 0.0 111.077 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.674 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -67.05 -37.28 83.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.245 0.545 . . . . 0.0 109.639 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 61.4 tp -63.92 -36.19 83.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.183 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -67.96 -21.44 65.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.073 0.463 . . . . 0.0 110.485 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 93.4 mtt180 -80.56 -55.29 4.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.28 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.02 -45.57 79.08 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.196 0.522 . . . . 0.0 110.783 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -64.78 -36.19 83.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.077 -175.47 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.1 m -63.72 -48.99 74.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 15.9 mm-40 -63.67 -37.85 88.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.83 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.7 m -65.57 -35.73 81.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.317 . . . . 0.0 110.475 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -52.98 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.664 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -67.18 -21.62 65.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.057 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.3 m -89.76 -45.35 9.36 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.231 -0.293 . . . . 0.0 111.255 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.0 12.15 10.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 55.4 35.26 24.66 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.355 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -66.72 121.75 78.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.61 138.61 81.09 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.817 2.345 . . . . 0.0 111.776 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.02 -32.78 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.261 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -56.13 -46.04 79.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.214 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -63.17 -38.49 91.39 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' HA ' ' CD2' ' A' ' 32' ' ' PHE . 48.8 t -60.83 -39.1 80.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.107 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 19.7 mm-40 -59.55 -40.47 87.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.358 175.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -61.84 -49.67 75.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.115 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 13.9 m-85 -57.45 -33.19 67.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.515 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -67.01 -27.96 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.03 0.443 . . . . 0.0 110.448 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -98.06 22.25 9.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.0 m95 50.69 47.29 24.64 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.311 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -119.81 109.32 15.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.852 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 36.8 m-85 -113.96 105.21 54.63 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.087 -177.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 37' ' ' PHE . 56.0 Cg_endo -69.62 149.68 68.1 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.42 83.08 5.48 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.361 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.715 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -149.34 150.14 31.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.673 -175.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -66.14 -24.8 66.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.906 -172.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.4 m -64.46 -57.14 10.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.5 m -56.43 -33.87 66.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.284 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.1 mtt -66.17 -49.83 66.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.553 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.46 -29.89 70.11 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.415 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -59.8 -50.03 75.39 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.296 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.72 -38.93 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.915 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -62.62 -49.69 74.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.371 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 23.7 t -57.84 -49.17 77.57 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.194 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.94 -48.22 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 121.065 0.46 . . . . 0.0 110.976 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -64.57 -23.73 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.984 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -80.56 -41.91 23.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.234 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 1.4 mptm? -73.55 -18.09 61.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.021 0.439 . . . . 0.0 110.646 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.1 mtp -89.33 -0.55 57.56 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.519 175.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 55.88 48.94 16.98 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.435 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mt -121.9 -16.13 7.67 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.119 -175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -140.79 142.32 34.7 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.95 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.443 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.6 t70 -125.33 146.66 49.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.698 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.62 -12.42 60.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.474 -175.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.443 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 18.5 m -101.1 -63.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.582 176.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -77.0 -15.45 59.63 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.82 -138.12 19.69 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.445 -0.883 . . . . 0.0 111.863 -176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HG2' HG13 ' A' ' 89' ' ' VAL . 37.9 Cg_endo -67.28 124.3 11.95 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.351 2.034 . . . . 0.0 112.064 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.4 mt -82.96 91.41 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.6 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 69' ' ' VAL . 79.4 t -48.9 -46.61 16.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.685 -1.143 . . . . 0.0 112.378 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -57.03 -56.36 22.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.491 -176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -63.24 -32.59 74.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.355 . . . . 0.0 110.441 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.1 -49.38 77.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.04 -178.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 65' ' ' VAL . 0.9 OUTLIER -76.04 -29.93 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.257 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -66.65 -28.77 68.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.141 0.496 . . . . 0.0 110.76 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -89.46 -59.59 2.17 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.861 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 91.6 mt -61.15 -42.79 99.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -175.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -71.18 33.2 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -176.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.3 t-80 -71.64 87.6 0.94 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.64 16.76 25.67 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.534 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HD2' HD13 ' A' ' 115' ' ' LEU . 61.4 mtt180 -144.06 162.67 35.64 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.447 ' O ' HG23 ' A' ' 81' ' ' VAL . 31.5 t70 -65.13 117.27 7.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.332 0.587 . . . . 0.0 111.142 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.42 74.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.923 -1.035 . . . . 0.0 112.301 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -65.38 -44.96 85.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.906 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 28.9 tt0 -65.16 -44.05 89.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.285 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 77' ' ' ASP . 85.0 t -56.98 -46.12 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.374 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 82' ' ' ARG . 25.3 ttt180 -53.83 -43.61 69.56 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 175.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 80' ' ' GLU . 17.6 m -60.43 -54.13 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.138 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 25.3 mt-10 -58.6 -40.42 83.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.558 -178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.1 t -59.88 -48.87 86.08 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.716 0.293 . . . . 0.0 111.055 175.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.6 mt -59.15 -28.76 66.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.559 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.97 -6.63 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.062 0.458 . . . . 0.0 110.722 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 16.6 m -118.23 -6.7 10.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.094 177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 85' ' ' VAL . 86.9 t -81.47 125.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.933 0.397 . . . . 0.0 110.042 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -138.82 -177.02 4.69 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.843 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -100.4 152.77 19.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.048 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -80.14 64.02 4.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 -175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.7 t -73.62 -19.65 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.588 0.709 . . . . 0.0 110.604 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.47 -18.63 48.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.303 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 15.2 m120 66.08 19.43 11.16 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.071 -0.968 . . . . 0.0 113.473 173.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.55 127.13 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 171.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.88 -38.73 76.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.021 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 86.1 m -62.76 -39.44 94.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.053 0.454 . . . . 0.0 110.199 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -78.6 -27.24 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.721 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -64.65 -55.12 22.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.035 0.445 . . . . 0.0 110.034 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.35 -37.1 79.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.571 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.451 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.7 t80 -68.43 -33.0 73.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.943 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -73.89 -37.86 64.57 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.57 -45.52 94.49 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.336 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.66 -47.93 76.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -63.17 -41.15 99.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 14.3 t -61.21 -45.09 96.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.106 0.479 . . . . 0.0 111.132 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.8 -48.24 32.91 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 -173.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.66 -27.98 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.731 0.3 . . . . 0.0 111.46 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -70.19 -14.57 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.117 0.484 . . . . 0.0 110.889 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -120.1 -32.54 4.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.677 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -139.37 69.52 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.287 -174.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.3 tp -85.31 -29.72 24.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.871 0.367 . . . . 0.0 110.755 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.8 t -63.73 -36.71 84.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.131 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.434 HD13 ' HD2' ' A' ' 76' ' ' ARG . 38.2 tp -65.75 -35.34 80.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.392 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.56 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.15 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.19 -36.9 80.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.846 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.38 -34.33 65.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.1 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.488 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 96.7 p -62.64 -38.18 89.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.337 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.0 pt -90.41 -3.73 10.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.992 0.425 . . . . 0.0 110.875 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -90.08 131.31 36.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -73.93 110.85 8.55 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.53 -0.747 . . . . 0.0 110.635 -173.602 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.621 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.909 0.385 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.29 124.0 48.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -81.1 115.76 20.7 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.627 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.95 111.26 23.63 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.561 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -80.69 148.09 5.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 17.9 m -73.77 97.37 2.71 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.605 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 p -86.22 -177.62 6.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -43.96 72.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.141 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -57.53 -47.02 83.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.269 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 13' ' ' ARG . 10.3 m-20 -67.65 -39.76 84.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 0.0 110.497 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.1 tp -62.36 -34.19 76.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.014 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.91 -35.05 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.586 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 10' ' ' ASP . 55.7 ttt180 -59.82 -53.75 54.23 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.939 176.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -64.93 -29.69 70.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.789 -172.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 34.9 mtt180 -60.4 -42.12 95.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.625 176.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -64.61 -46.68 81.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.384 -176.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -63.64 -37.76 88.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.653 -178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -77.46 -30.92 53.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.29 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.14 -51.8 49.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.117 0.484 . . . . 0.0 110.406 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.3 p -66.28 -37.33 85.2 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.581 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -71.68 -48.27 48.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.09 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.7 mt -87.28 10.75 16.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.657 -176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 55.35 33.1 20.09 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.821 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -63.03 124.95 85.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.808 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -63.68 143.99 88.28 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.859 2.372 . . . . 0.0 111.755 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.848 -176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' OD2' ' HE2' ' A' ' 31' ' ' LYS . 29.0 t70 -54.04 -50.28 67.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 176.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 36.9 m-85 -60.83 -36.1 78.24 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.537 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.52 -44.63 93.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.235 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.6 mt-10 -61.98 -32.18 72.6 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.18 0.514 . . . . 0.0 110.462 178.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 66.4 mttm -66.96 -54.52 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.554 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.576 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 13.6 m-85 -57.14 -34.09 68.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.273 -176.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -59.88 -37.63 79.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.97 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -97.44 26.75 4.69 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.51 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 90.6 m95 55.66 40.27 30.93 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 31' ' ' LYS . 46.3 mt-10 -106.06 111.53 24.2 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -122.27 83.01 45.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.457 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -59.5 149.0 84.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.844 2.362 . . . . 0.0 112.401 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -76.05 79.11 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.796 0.808 . . . . 0.0 109.747 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.611 ' O ' ' HG3' ' A' ' 44' ' ' MET . 15.3 t70 -141.34 144.06 34.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.026 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.81 -25.89 66.91 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.62 -172.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 m -64.63 -56.05 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 110.446 176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 33.8 m -56.34 -34.89 67.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.206 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.611 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -65.32 -53.24 46.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.7 -175.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.09 -30.85 71.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.675 0.274 . . . . 0.0 110.282 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -59.67 -49.01 79.42 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.348 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.28 -38.78 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.054 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD2' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -62.16 -53.56 53.66 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.712 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -54.3 -49.94 68.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.352 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.523 HG11 ' H32' ' A' ' 201' ' ' ACD . 45.3 t -61.61 -45.42 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 120.965 0.412 . . . . 0.0 111.227 -178.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.4 m-30 -63.92 -25.9 68.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.063 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -84.01 -36.36 23.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.664 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -67.58 -29.47 68.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.069 176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.404 ' SD ' ' HB3' ' A' ' 6' ' ' SER . 8.4 mmm -88.23 0.59 55.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.919 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 53.45 53.86 11.0 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.321 -176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 68' ' ' LEU . 9.0 mt -127.11 -17.42 4.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.234 -175.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 81.4 t80 -140.59 134.99 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.0 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 23.5 t70 -120.53 144.62 47.95 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 177.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.0 -16.76 61.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.026 0.441 . . . . 0.0 111.371 -173.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.437 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 25.3 m -97.9 -64.03 1.08 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.181 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -70.78 -24.24 62.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.626 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.37 -150.03 21.65 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.774 -175.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.67 119.72 7.16 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.724 2.283 . . . . 0.0 111.53 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.6 mt -79.58 87.17 5.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.105 0.479 . . . . 0.0 109.847 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 76.6 t -48.77 -45.5 15.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.493 -174.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.61 -50.44 72.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.615 0.245 . . . . 0.0 111.32 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -65.49 -34.49 78.39 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.893 0.378 . . . . 0.0 110.271 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 56' ' ' LEU . 17.9 mt -61.09 -46.63 89.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.307 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 65.7 t -69.0 -36.54 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -66.33 -34.07 77.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.469 . . . . 0.0 111.109 177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.42 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 25.2 tp60 -82.24 -59.56 2.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.932 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 119' ' ' SER . 99.2 mt -63.67 -53.98 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -85.45 32.74 0.56 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -174.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -68.62 108.05 3.2 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.336 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.59 36.0 75.55 Favored Glycine 0 N--CA 1.451 -0.316 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -148.26 170.34 18.1 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -173.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.44 92.3 0.06 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 120.954 0.406 . . . . 0.0 111.368 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.14 74.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.428 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.12 -47.88 80.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.322 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.83 -45.44 82.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.417 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.475 HG21 ' HB2' ' A' ' 73' ' ' ALA . 56.7 t -58.41 -51.95 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.553 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -54.97 -43.14 73.22 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.015 0.436 . . . . 0.0 110.685 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.7 m -60.24 -51.76 68.17 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.251 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -60.89 -40.36 92.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.881 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 89' ' ' VAL . 31.7 t -56.8 -48.35 81.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.67 175.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.2 mt -58.73 -29.53 66.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.219 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -65.97 -22.91 66.5 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.778 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -105.31 -10.19 17.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.925 -175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 85' ' ' VAL . 63.9 t -80.41 131.19 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.026 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.413 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 14.3 t70 -155.25 169.28 24.54 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 mttm -75.93 158.3 32.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.17 0.51 . . . . 0.0 111.276 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -73.87 71.77 1.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.915 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 p -87.93 -1.97 58.31 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.544 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -85.16 -21.72 29.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 62.27 19.05 10.71 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 122.026 0.917 . . . . 0.0 110.462 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -150.61 117.41 5.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.77 -175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.43 -34.39 73.89 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.936 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.1 m -60.35 -44.62 95.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.7 -0.227 . . . . 0.0 110.792 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.503 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 23.3 t-80 -82.84 -23.83 33.57 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.568 -175.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.7 t90 -66.87 -54.55 21.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.038 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.84 -36.95 86.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.5 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -67.09 -31.71 72.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.615 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 90' ' ' ASP . 6.4 ttm180 -69.25 -42.2 75.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.33 -45.32 95.33 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.72 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.499 ' CZ ' ' H5 ' ' A' ' 201' ' ' ACD . 21.4 t80 -67.44 -45.26 76.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.931 0.396 . . . . 0.0 111.015 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -64.79 -40.8 95.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.941 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.12 -41.39 99.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.27 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -76.05 -46.66 28.08 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.509 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -65.8 -21.55 66.5 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.702 0.286 . . . . 0.0 111.263 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.42 -35.92 78.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.802 -178.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -119.72 -17.03 8.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.914 -176.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -139.39 70.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.0 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.37 -32.43 17.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.859 0.361 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.2 m -63.24 -33.58 75.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.747 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.418 HD21 HG22 ' A' ' 81' ' ' VAL . 50.8 tp -67.85 -34.74 77.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.331 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.5 mt -68.21 -43.0 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.992 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -62.25 -39.88 94.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.263 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.98 75.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.276 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.481 ' HB2' HD23 ' A' ' 72' ' ' LEU . 27.3 t -56.6 -47.48 79.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.548 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 45.4 pt -94.81 2.61 9.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.417 . . . . 0.0 111.377 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -79.82 120.58 24.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -57.99 130.49 46.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.877 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.752 -177.475 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.576 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.3 mmm . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.869 0.366 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -134.11 102.2 5.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.457 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.48 126.33 27.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.481 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.67 129.81 45.16 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.358 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 m -89.21 143.9 10.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.849 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m -71.4 105.21 3.45 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.281 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -81.42 -176.5 6.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.45 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.4 m -55.83 -45.08 78.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.78 -42.32 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.95 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.72 -40.01 91.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.204 0.526 . . . . 0.0 109.967 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.536 HD21 ' H31' ' A' ' 201' ' ' ACD . 62.1 tp -61.8 -32.45 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -64.31 -37.41 87.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.536 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 47.0 ttt180 -60.31 -62.23 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.329 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -58.63 -39.13 79.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.693 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.889 0.376 . . . . 0.0 110.099 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.4 m -64.58 -50.41 67.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.14 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.644 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 14.8 mt-10 -60.81 -38.2 84.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.243 -178.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 98.0 m -70.26 -35.28 73.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.857 178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -63.98 -52.93 50.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.269 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 t -65.33 -38.17 89.32 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.18 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.4 t -69.27 -49.19 58.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.654 0.264 . . . . 0.0 111.128 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -85.38 7.31 23.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 55.93 42.74 28.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.407 0.622 . . . . 0.0 110.637 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.6 mm -71.44 118.92 70.59 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.522 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -60.05 145.21 98.94 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.405 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.98 -30.58 61.99 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 114.814 -1.084 . . . . 0.0 112.008 -177.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -53.49 -55.24 27.01 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.854 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.0 m-85 -58.78 -39.9 82.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.239 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -56.51 -43.06 77.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.72 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.6 mt-10 -62.68 -42.95 99.9 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.81 -47.16 87.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.878 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.5 m-85 -57.95 -35.28 70.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.59 -35.64 81.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.56 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -89.3 21.51 3.26 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.868 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 97.3 m95 53.99 45.26 27.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.017 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -121.51 111.01 16.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -115.79 97.98 50.08 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.88 145.75 71.49 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.824 2.35 . . . . 0.0 112.758 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -89.44 78.58 7.12 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.678 -177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.627 ' O ' ' HG3' ' A' ' 44' ' ' MET . 2.1 p30 -155.51 167.99 28.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.147 176.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -49.98 -46.47 52.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -171.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.86 -56.44 15.79 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.048 0.451 . . . . 0.0 111.587 -175.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.427 HG23 ' CE2' ' A' ' 32' ' ' PHE . 25.6 m -62.43 -34.45 76.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.311 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.627 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.8 mtt -65.52 -49.28 69.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 97.1 m -69.17 -29.21 67.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.84 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -60.39 -51.62 68.73 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.442 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.4 mm -60.24 -39.16 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.562 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HE2' ' HB1' ' A' ' 97' ' ' ALA . 35.4 tttm -56.56 -55.64 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.591 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.1 t -57.82 -46.62 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.677 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.56 -46.09 95.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.415 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -67.64 -25.03 65.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.953 -177.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -80.32 -40.71 26.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 47.4 mttm -66.51 -28.29 68.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.515 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 49.6 mtm -90.71 8.47 34.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 52.83 47.22 25.14 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.787 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.29 -14.87 9.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.375 -178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 71.4 t80 -142.0 139.53 32.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.362 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -122.92 142.85 50.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.79 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.12 -18.2 65.11 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -175.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -106.43 -62.01 1.45 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.806 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -75.09 -13.03 60.44 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.04 -146.28 31.94 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.402 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.48 124.53 16.33 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.876 2.384 . . . . 0.0 111.973 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.4 mt -86.45 91.77 8.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.63 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 69' ' ' VAL . 87.5 t -51.21 -45.61 31.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.692 -1.14 . . . . 0.0 113.15 -171.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.92 -55.46 32.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.909 -0.317 . . . . 0.0 111.202 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.12 -33.53 72.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.993 0.425 . . . . 0.0 110.356 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.433 ' CD2' H161 ' A' ' 201' ' ' ACD . 18.8 mt -61.76 -47.24 86.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.314 178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 65' ' ' VAL . 81.5 t -69.13 -43.44 81.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.882 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -62.22 -26.69 68.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.003 0.43 . . . . 0.0 110.939 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 5.5 tp60 -90.25 -60.64 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.455 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 89.1 mt -61.1 -42.86 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.162 -174.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.22 34.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 72' ' ' LEU . 3.2 t-160 -64.07 89.01 0.05 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.122 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.0 27.21 38.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.222 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' HD2' ' CD1' ' A' ' 115' ' ' LEU . 63.4 mtt180 -143.93 170.44 15.9 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.86 -0.2 . . . . 0.0 111.152 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 81' ' ' VAL . 13.4 m-20 -59.91 104.6 0.31 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.782 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.52 -38.76 78.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.611 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.005 0.431 . . . . 0.0 111.243 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.67 -44.85 89.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.963 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 77' ' ' ASP . 75.7 t -57.93 -48.53 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.139 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -56.76 -45.09 82.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.078 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 89.1 m -61.34 -50.81 71.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.005 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.61 -38.15 90.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.537 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.6 t -58.24 -49.04 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 120.805 0.336 . . . . 0.0 110.866 174.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -59.52 -29.25 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.907 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -69.67 -18.76 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.644 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 34.2 m -104.11 -3.86 23.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.631 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 85' ' ' VAL . 86.3 t -88.24 107.18 17.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.748 177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -115.52 168.24 10.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.722 175.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 91' ' ' LYS . 37.6 mtpt -81.21 160.25 24.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.052 0.454 . . . . 0.0 110.548 177.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.46 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 54.3 t30 -80.06 70.46 6.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.578 179.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.5 p -83.61 -15.83 47.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.647 177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.48 -19.18 46.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.818 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 63.29 24.3 14.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.404 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -138.59 120.83 15.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.422 177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' A' ' 48' ' ' LYS . . . -70.64 -32.67 70.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -171.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.2 m -62.58 -43.61 98.37 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.701 178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -75.41 -28.51 59.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.426 -177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 10.5 t90 -66.95 -55.06 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.371 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.36 95.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.703 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.476 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 81.4 t80 -65.82 -32.28 73.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.906 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -71.7 -39.54 70.13 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 121.155 -0.218 . . . . 0.0 110.439 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.403 ' O ' H191 ' A' ' 201' ' ' ACD . . . -61.4 -44.23 98.31 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.513 -0.851 . . . . 0.0 111.294 177.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -67.95 -47.59 68.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.937 0.398 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -62.98 -41.73 99.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.137 -177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.0 t -61.15 -43.41 98.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.135 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -77.43 -48.54 16.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.405 -173.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.401 ' HB2' HD13 ' A' ' 113' ' ' LEU . 1.4 pp0? -60.68 -26.8 67.36 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.883 0.373 . . . . 0.0 111.184 -177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.73 -28.18 69.41 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -109.44 -34.81 6.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.708 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -138.06 72.82 1.42 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.269 -171.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 109' ' ' GLN . 59.0 tp -89.81 -30.16 18.14 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.12 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 m -63.82 -35.03 79.28 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.893 0.378 . . . . 0.0 110.535 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.407 ' CD1' ' HD2' ' A' ' 76' ' ' ARG . 31.1 tp -64.1 -36.68 84.83 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.941 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.482 HG23 ' C9 ' ' A' ' 201' ' ' ACD . 79.0 mt -65.9 -43.19 93.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.478 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.18 -44.45 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.807 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.48 -35.72 73.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.355 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.472 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 97.3 p -59.56 -39.39 83.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.791 -176.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.3 pt -89.44 -2.14 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.422 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -83.38 127.5 33.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -142.45 106.53 4.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.192 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.486 -0.768 . . . . 0.0 110.239 -179.695 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.536 ' H31' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.603 0.24 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -166.27 109.06 0.75 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.124 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -59.89 120.17 9.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.129 177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.36 119.9 37.85 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.413 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.3 m -80.27 149.46 5.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.286 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.5 m -78.45 101.12 7.14 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.913 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.4 p -78.21 176.03 9.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.536 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.9 m -55.62 -38.52 69.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.101 0.476 . . . . 0.0 110.909 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.67 -40.44 84.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.906 -178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.29 -40.12 95.31 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.305 0.574 . . . . 0.0 109.587 174.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.44 HD11 ' H32' ' A' ' 201' ' ' ACD . 56.0 tp -63.22 -35.07 79.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.185 -176.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -66.19 -33.02 74.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.619 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 5.0 tpm_? -73.15 -41.07 64.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -67.4 -34.68 77.77 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.003 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.607 HH12 ' C1 ' ' A' ' 201' ' ' ACD . 0.3 OUTLIER -60.38 -40.79 92.12 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.568 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.14 84.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.72 0.295 . . . . 0.0 110.981 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.65 -49.32 75.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.052 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 -32.7 69.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.597 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.7 -51.24 64.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.946 0.403 . . . . 0.0 110.746 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 t -66.58 -37.43 84.92 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.476 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.9 m -75.16 -46.66 32.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.739 0.305 . . . . 0.0 111.602 -175.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.8 mt -87.59 13.45 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 53.48 37.22 25.18 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.513 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.1 mm -67.39 119.8 68.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.786 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.62 142.76 99.36 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.077 2.518 . . . . 0.0 112.136 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.526 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.44 -33.7 60.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.694 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -49.32 -51.67 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.544 0.527 . . . . 0.0 111.585 175.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -61.26 -36.59 80.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.441 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.66 -40.93 88.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.6 mt-10 -63.12 -35.16 79.34 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.1 0.476 . . . . 0.0 110.347 176.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -68.58 -48.59 63.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.157 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 17.3 m-85 -59.48 -31.33 69.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.029 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.03 -24.31 64.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.931 177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -117.32 27.28 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.718 0.294 . . . . 0.0 111.241 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.3 m95 54.68 45.83 25.96 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.117 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -116.57 109.64 17.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -114.18 97.19 44.84 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.805 -176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -59.42 142.94 99.76 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.326 2.017 . . . . 0.0 112.294 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -81.07 83.09 6.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.61 0.719 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.575 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.6 t70 -149.84 149.81 31.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.047 -175.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -48.87 -42.77 37.73 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.421 0.451 . . . . 0.0 111.448 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.2 m -51.84 -57.71 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.416 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.8 m -59.83 -34.73 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.33 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -69.36 -48.68 60.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.162 -174.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.4 m -66.55 -28.89 68.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.94 0.4 . . . . 0.0 110.162 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -61.32 -45.98 92.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.329 175.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.4 -44.26 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.052 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 4.4 ptmm? -66.6 -41.26 88.71 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.695 -176.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.491 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 13.2 t -59.21 -50.65 73.2 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.9 -46.37 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-O 121.302 0.572 . . . . 0.0 110.643 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -63.22 -23.86 67.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.989 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -84.09 -39.02 20.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HD3' ' O ' ' A' ' 49' ' ' CYS . 5.4 mptp? -66.76 -23.74 66.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.025 0.44 . . . . 0.0 110.489 176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.06 -0.75 57.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.278 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 57.16 52.63 8.74 Favored 'General case' 0 N--CA 1.46 0.062 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.398 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.505 HD11 ' HG2' ' A' ' 71' ' ' GLN . 6.9 mt -125.84 -20.11 4.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.654 -174.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.2 t80 -136.91 138.98 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.009 0.433 . . . . 0.0 110.188 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -118.15 137.12 53.18 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -68.37 -18.06 64.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.877 0.37 . . . . 0.0 111.257 -173.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.6 m -99.68 -61.55 1.35 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.457 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -79.34 -7.99 58.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.977 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.72 -153.38 36.52 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.928 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.46 123.32 13.34 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.194 2.596 . . . . 0.0 111.855 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.1 mt -85.28 93.04 8.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.133 0.492 . . . . 0.0 109.773 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.1 t -52.14 -44.44 40.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.752 -173.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.413 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 22.1 t70 -57.89 -54.22 49.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.223 -177.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.34 -34.58 78.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.912 0.387 . . . . 0.0 110.486 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.61 -42.62 99.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.473 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 65' ' ' VAL . 67.1 t -69.4 -44.39 80.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.65 177.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.413 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 53.5 m-70 -63.09 -23.64 67.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.128 0.49 . . . . 0.0 111.284 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.505 ' HG2' HD11 ' A' ' 56' ' ' LEU . 28.0 tp60 -89.76 -60.39 1.95 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.742 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' A' ' 74' ' ' HIS . 92.5 mt -67.67 -41.45 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -174.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.83 33.07 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 72' ' ' LEU . 38.9 t-80 -72.42 81.94 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 177.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.72 27.75 7.36 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.518 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' HD2' HD13 ' A' ' 115' ' ' LEU . 39.5 mtt180 -148.27 163.05 38.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.598 0.237 . . . . 0.0 110.803 177.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.6 111.87 2.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.943 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.43 74.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.124 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.05 -44.54 87.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.994 0.426 . . . . 0.0 111.119 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 32.9 tt0 -67.08 -45.63 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.158 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.2 t -58.04 -48.74 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.634 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -53.86 -43.44 69.53 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.103 0.478 . . . . 0.0 110.519 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.2 m -62.84 -52.96 61.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.177 -178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 18.9 mt-10 -57.87 -40.71 80.88 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.567 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.1 t -59.87 -51.55 71.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.624 0.25 . . . . 0.0 111.063 176.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.9 mt -56.55 -31.9 64.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.851 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -71.07 -15.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.081 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.2 m -108.64 -6.2 16.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.8 t -80.15 100.32 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.438 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -103.62 171.81 7.16 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.541 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -93.45 158.59 15.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.384 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -77.99 71.34 4.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 62.7 p -84.84 -20.93 30.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.572 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -78.76 -15.87 57.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.607 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.62 27.86 17.57 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.971 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -146.27 117.83 8.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.029 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.28 71.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.042 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.533 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 68.5 m -66.04 -46.12 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.881 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -76.52 -26.98 55.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.368 . . . . 0.0 110.027 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -67.21 -57.08 7.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.7 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.35 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.629 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.456 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 70.1 t80 -68.5 -32.93 73.25 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.554 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -67.7 -43.22 80.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.178 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.419 ' O ' H191 ' A' ' 201' ' ' ACD . . . -62.32 -48.91 79.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.04 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -63.83 -46.27 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' A' ' 110' ' ' LYS . 59.4 tttt -65.03 -42.81 94.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.103 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -59.13 -42.76 91.38 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.403 0.621 . . . . 0.0 110.762 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.405 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 28.3 t80 -73.9 -53.58 9.84 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.84 -174.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.67 -27.54 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.4 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 106' ' ' LYS . 4.4 tmtm? -60.29 -37.29 80.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.271 0.557 . . . . 0.0 109.75 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -106.98 -25.09 11.77 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.907 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -140.67 69.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.564 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.8 tp -88.32 -27.97 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.135 0.493 . . . . 0.0 110.51 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.9 m -61.6 -39.25 90.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.696 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.433 HD13 ' HD2' ' A' ' 76' ' ' ARG . 55.3 tp -65.01 -35.08 80.05 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 53.0 mt -66.8 -39.86 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.33 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -65.66 -42.44 91.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.16 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.61 -31.33 66.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.376 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 40.6 t -58.18 -46.86 85.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.505 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -90.91 -0.54 9.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.515 -176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -77.53 119.48 21.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.871 0.367 . . . . 0.0 110.396 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 133.25 37.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.492 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.648 -0.692 . . . . 0.0 110.256 177.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.607 ' C1 ' HH12 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.203 0.049 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 66.79 108.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.684 0.615 . . . . 0.0 111.081 -176.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.3 106.23 1.99 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.461 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.57 121.41 41.14 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.825 -175.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -88.96 138.57 18.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 174.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 p -81.12 104.52 11.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.369 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.8 p -82.45 -176.44 6.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.831 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.8 m -54.91 -48.41 73.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.407 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -60.0 -38.99 84.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.788 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -66.81 -43.6 83.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.239 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.702 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.6 tp -59.98 -36.63 77.57 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.383 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.4 -40.35 68.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.611 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.27 -41.71 89.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.307 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -71.57 -39.02 70.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.104 -175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.702 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.0 mtp180 -60.83 -49.92 75.51 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -59.83 -51.42 69.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.891 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.03 -45.09 71.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.779 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.4 m -61.43 -35.62 78.07 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.758 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.404 HG13 ' HB ' ' A' ' 24' ' ' ILE . 3.3 t -62.02 -54.24 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-O 121.008 0.433 . . . . 0.0 110.547 176.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.1 m -64.94 -28.93 69.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.062 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 m -82.53 -44.39 15.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.64 0.257 . . . . 0.0 111.267 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -83.67 8.04 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 58.04 36.14 25.79 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.906 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.404 ' HB ' HG13 ' A' ' 19' ' ' VAL . 36.6 mm -68.57 119.54 69.31 Favored Pre-proline 0 N--CA 1.453 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.197 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.83 142.22 98.73 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.991 2.46 . . . . 0.0 112.482 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.59 -33.0 59.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.744 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -54.0 -47.48 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.406 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -65.9 -34.17 77.52 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.594 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 52.4 t -60.24 -43.51 93.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 15.2 mt-10 -61.06 -32.08 71.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.004 0.431 . . . . 0.0 110.659 177.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -65.98 -53.33 40.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.288 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -58.34 -31.38 67.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.336 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -56.88 -36.64 70.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.386 . . . . 0.0 110.93 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -105.03 29.23 6.51 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.152 0.501 . . . . 0.0 110.703 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 78.7 m95 50.71 50.28 19.26 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.105 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -114.93 111.22 20.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.956 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -114.27 99.23 50.58 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.554 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.18 143.3 83.52 Favored 'Trans proline' 0 CA--C 1.518 -0.296 0 C-N-CA 122.313 2.009 . . . . 0.0 111.974 175.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -82.67 80.65 8.72 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -152.44 142.43 22.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.333 -171.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.19 -26.78 12.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.001 0.813 . . . . 0.0 112.542 -169.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.0 m -57.8 -55.53 33.69 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.17 0.509 . . . . 0.0 110.822 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.5 m -62.16 -35.38 78.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.29 -178.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -57.71 10.96 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.784 -179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.9 m -64.66 -32.89 74.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.771 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.02 -48.97 79.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.437 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.2 mm -60.69 -38.35 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.939 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.89 -49.73 73.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.268 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.8 t -56.61 -49.29 75.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.125 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG11 ' H32' ' A' ' 201' ' ' ACD . 54.7 t -63.34 -47.59 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 111.139 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.52 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.7 m-30 -63.26 -27.68 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.802 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -78.4 -37.72 43.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.792 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.61 -27.93 68.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.3 mtp -92.28 6.91 45.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.774 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.579 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER 50.75 47.36 24.63 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.22 -176.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.463 HD22 HD23 ' A' ' 68' ' ' LEU . 8.0 mt -117.59 -20.51 8.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -174.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 63.9 t80 -139.38 138.54 36.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.771 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -116.31 138.36 51.38 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.14 -21.37 66.15 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.978 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.8 m -99.46 -63.17 1.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.99 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -75.72 -14.23 60.33 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -174.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.45 -152.45 25.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.151 -1.023 . . . . 0.0 112.599 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -61.52 123.86 13.56 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.993 2.462 . . . . 0.0 111.917 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -85.63 90.25 7.95 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 81.9 t -49.15 -46.54 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 114.779 -1.101 . . . . 0.0 112.765 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.16 -50.39 73.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.58 0.229 . . . . 0.0 111.384 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -65.24 -34.91 79.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.314 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.463 HD23 HD22 ' A' ' 56' ' ' LEU . 17.6 mt -59.95 -44.92 94.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.076 178.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 65' ' ' VAL . 92.0 t -67.83 -44.37 85.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 176.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -63.31 -25.67 68.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.922 0.391 . . . . 0.0 111.279 -178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -90.42 -60.22 1.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.714 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 81.5 mt -62.2 -43.68 98.28 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.387 -175.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.56 33.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -178.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.423 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.0 t-80 -70.15 87.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.995 0.426 . . . . 0.0 110.171 178.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.53 11.03 49.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.332 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.406 ' HD2' HD13 ' A' ' 115' ' ' LEU . 61.9 mtt180 -131.94 168.37 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.467 0.175 . . . . 0.0 110.717 -177.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.79 115.68 6.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.369 0.604 . . . . 0.0 110.991 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.45 77.18 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.988 -1.006 . . . . 0.0 112.43 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.79 -43.43 88.76 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.132 -177.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -60.42 -49.31 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.188 0.518 . . . . 0.0 110.606 174.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.53 -49.63 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.475 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -53.01 -42.01 65.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.991 0.424 . . . . 0.0 110.853 176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -62.95 -55.14 28.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.482 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.31 -33.62 76.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.908 -178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 89' ' ' VAL . 26.0 t -60.63 -50.3 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.642 0.258 . . . . 0.0 110.818 174.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 mt -56.78 -32.37 65.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.871 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -70.34 -18.64 63.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.208 0.527 . . . . 0.0 110.718 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 23.7 m -103.79 -9.57 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.701 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 85' ' ' VAL . 85.2 t -73.25 99.53 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-O 121.384 0.611 . . . . 0.0 109.75 174.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -104.71 174.08 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.14 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -101.44 159.73 15.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.446 . . . . 0.0 110.587 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.487 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.9 t30 -78.11 65.0 3.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.428 0.633 . . . . 0.0 110.173 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.9 p -68.12 -36.21 79.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.57 -176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.18 -5.71 58.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.365 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.433 HD22 ' N ' ' A' ' 95' ' ' ASN . 0.9 OUTLIER 65.97 37.91 5.17 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.647 174.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.62 121.97 13.12 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 173.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.13 -35.67 81.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.249 -174.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.69 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.174 0.512 . . . . 0.0 110.082 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -75.47 -27.61 58.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.556 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.487 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.1 t90 -73.66 -52.71 12.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.772 -177.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.03 90.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.139 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -66.89 -29.12 68.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.433 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -67.14 -44.26 80.28 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.283 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.63 -46.55 93.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.92 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -62.7 -49.37 75.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -58.75 -44.76 90.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.474 -177.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -61.61 -44.15 97.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.431 -178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -75.37 -46.74 31.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.916 -173.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.85 -14.77 62.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.765 0.317 . . . . 0.0 111.535 -178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -68.02 -23.37 64.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -127.67 -30.96 2.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.467 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -129.5 60.69 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.171 -172.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.3 tp -81.0 -30.39 35.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.971 0.415 . . . . 0.0 110.736 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 p -63.31 -32.25 73.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.406 HD13 ' HD2' ' A' ' 76' ' ' ARG . 49.7 tp -69.07 -35.33 76.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.065 0.46 . . . . 0.0 110.242 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 90.5 mt -66.52 -35.9 75.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.427 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -72.45 -30.24 64.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.98 -33.29 30.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.177 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.538 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 41.7 p -63.92 -30.47 71.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 0.0 111.836 -176.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.7 pt -93.59 -3.28 10.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.086 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -91.0 117.61 29.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.134 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.4 tttm -117.64 13.7 14.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.491 0.662 . . . . 0.0 109.363 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--O 1.246 0.897 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.555 177.275 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.544 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.8 mmm . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.834 0.35 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -98.72 124.08 43.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 110.498 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -114.31 125.39 53.83 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.787 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -103.52 118.0 35.74 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.292 174.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.81 134.65 29.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.424 0.631 . . . . 0.0 109.497 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -84.05 113.08 20.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.54 -177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.7 p -82.32 174.47 11.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.565 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.45 -41.23 76.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.655 0.264 . . . . 0.0 111.048 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -58.82 -49.45 77.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.734 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -61.55 -39.67 91.94 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.943 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.558 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 63.4 tp -62.57 -40.5 97.07 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.811 -178.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.14 -31.05 71.48 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.098 0.475 . . . . 0.0 110.45 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 77.5 ttt180 -68.48 -47.83 66.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.083 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -66.09 -34.54 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 14.3 mtt180 -57.3 -50.35 73.19 Favored 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -59.21 -44.83 92.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.791 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 5.8 mm-40 -64.89 -32.39 74.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.096 -179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -82.34 -29.62 30.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.849 0.357 . . . . 0.0 111.079 178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.3 t -68.96 -50.63 52.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.07 0.462 . . . . 0.0 110.503 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -62.17 -37.08 83.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.768 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.9 p -81.42 -46.55 14.44 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 122.293 -0.255 . . . . 0.0 111.679 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.8 mt -82.67 9.44 9.57 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -176.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.3 m120 54.58 39.16 30.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.368 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.38 123.57 88.65 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.461 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -60.47 141.88 96.58 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.932 2.421 . . . . 0.0 112.167 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.23 -29.05 65.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.604 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -56.96 -50.83 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.925 175.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -59.09 -36.8 75.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.347 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -57.83 -41.71 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.364 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -64.51 -31.48 72.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.71 0.29 . . . . 0.0 110.83 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -66.09 -54.7 22.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.23 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.645 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 15.2 m-85 -56.99 -38.57 73.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.322 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -63.0 -21.66 66.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE2' ' OE2' ' A' ' 36' ' ' GLU . 36.3 mtmm -110.37 20.8 17.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.089 178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.492 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.6 m95 59.03 47.67 11.78 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.172 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.455 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 49.9 mt-10 -121.47 109.66 15.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.93 0.395 . . . . 0.0 110.145 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -115.58 100.0 53.09 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.912 -176.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -64.17 145.65 89.37 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.556 2.171 . . . . 0.0 112.357 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -84.77 79.44 9.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.841 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.628 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.4 OUTLIER -150.82 157.88 43.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.25 -177.705 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -52.8 -40.12 62.98 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -172.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -57.44 -56.52 20.84 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.1 0.476 . . . . 0.0 111.094 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.8 m -60.59 -35.44 76.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.25 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -61.8 -54.28 44.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.51 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.41 ' CA ' ' HB3' ' A' ' 98' ' ' CYS . 2.1 t -75.89 -21.38 57.22 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.725 -175.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -58.92 -47.48 84.89 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.05 -36.76 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.617 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 4.8 tmmm? -60.08 -54.31 47.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.189 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 t -56.93 -47.61 80.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.479 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.6 t -62.99 -49.43 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.48 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.8 m-30 -64.49 -25.86 68.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.979 -178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -78.15 -40.4 38.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.969 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -72.95 -22.09 60.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.996 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.45 2.54 55.56 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.475 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 58.25 45.75 16.77 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.23 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 6.9 mt -123.35 -17.96 6.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.205 0.526 . . . . 0.0 111.326 -175.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.48 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.5 t80 -137.33 140.2 41.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.925 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 29.4 t70 -119.16 138.8 52.68 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 174.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.75 -10.83 60.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.651 -175.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.491 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 52.3 m -101.83 -65.09 1.0 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.527 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -76.14 -12.48 60.11 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.63 -151.29 24.01 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.021 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -58.07 123.17 13.04 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.788 2.325 . . . . 0.0 111.529 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.6 mt -83.78 89.6 7.2 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -51.4 -37.52 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.46 -174.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.16 -55.08 32.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.682 0.277 . . . . 0.0 111.312 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -64.39 -34.36 77.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.369 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -59.9 -43.97 94.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.729 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 65' ' ' VAL . 90.6 t -69.33 -41.93 81.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.863 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -62.58 -25.04 67.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.222 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -90.28 -60.41 1.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.397 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.624 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 95.2 mt -64.39 -45.5 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.542 -174.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.91 26.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -174.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -74.43 92.27 2.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.86 19.67 16.67 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.366 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -146.68 167.12 24.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.468 0.175 . . . . 0.0 110.543 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.98 105.93 0.95 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.797 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.04 -32.43 64.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.995 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.69 -49.47 76.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.928 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -70.09 -42.96 72.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.645 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.37 -47.9 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.544 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -55.8 -43.3 76.72 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.892 0.377 . . . . 0.0 110.651 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.8 m -61.2 -53.29 58.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.224 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -60.97 -40.16 92.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.822 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 89' ' ' VAL . 29.0 t -59.26 -48.98 85.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.626 0.25 . . . . 0.0 110.78 175.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.59 -30.39 68.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.69 -178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -65.7 -18.48 65.36 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.156 0.503 . . . . 0.0 110.737 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 35.7 m -105.32 -7.25 18.99 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.684 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 85' ' ' VAL . 39.9 t -95.74 110.37 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.275 176.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -146.49 -175.11 4.65 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.624 174.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -65.09 150.16 48.61 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -167.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -82.7 81.96 8.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.561 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.1 p -84.37 -9.86 58.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.209 0.528 . . . . 0.0 110.529 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.61 -20.73 46.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.259 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.75 20.07 11.86 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.037 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -147.45 127.31 13.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -69.15 -28.29 66.3 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -173.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.525 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 38.8 m -63.36 -39.96 95.96 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -71.98 -44.89 62.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.11 178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -62.63 -43.42 98.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.23 -173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.01 88.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.45 . . . . 0.0 110.731 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 86.7 t80 -65.61 -31.38 72.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.16 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -66.76 -44.08 82.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.62 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' O ' H191 ' A' ' 201' ' ' ACD . . . -67.05 -44.51 87.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.702 178.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.45 -46.34 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.801 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -60.1 -41.62 92.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.314 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -63.1 -45.92 89.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.353 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -74.22 -46.59 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.344 -172.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -66.12 -12.28 54.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.42 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.97 -37.9 89.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -124.79 -17.23 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.327 -176.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -127.27 58.8 1.44 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.664 0.268 . . . . 0.0 111.379 -177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.2 tp -86.05 -35.48 20.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.321 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.1 m -61.25 -33.52 73.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.684 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.87 -42.46 94.8 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.165 177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.439 HG23 ' C9 ' ' A' ' 201' ' ' ACD . 84.1 mt -59.99 -43.34 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.526 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.492 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.4 mttt -64.12 -38.05 89.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.978 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.76 -23.43 49.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.037 -178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 39.9 m -67.2 -36.88 82.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.726 0.298 . . . . 0.0 111.506 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 36.6 pt -91.66 2.78 7.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 111.142 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -88.96 133.5 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.324 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -98.36 114.53 26.89 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.562 -178.298 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.645 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 121.051 0.453 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -91.1 126.35 36.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.461 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -70.25 112.17 6.39 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.937 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.34 114.5 22.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.153 -176.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.29 157.59 2.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.092 177.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 m -82.46 94.4 7.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.1 p -83.33 -173.37 4.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.635 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.0 m -58.64 -41.23 85.52 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.171 0.51 . . . . 0.0 110.433 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.83 -44.56 96.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.72 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -67.28 -39.38 86.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 59.1 tp -62.14 -34.24 76.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.962 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -63.85 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.613 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.655 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 67.4 ttt180 -70.98 -63.22 1.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.337 177.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -55.58 -39.63 70.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.408 -173.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.32 -36.33 82.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.819 -176.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.4 m -71.37 -46.46 60.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.984 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 12.0 mt-10 -60.73 -35.85 77.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.427 179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.9 m -71.54 -34.28 69.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.595 0.236 . . . . 0.0 110.691 176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.52 -51.22 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.541 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 m -61.77 -39.82 92.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.596 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.7 m -75.57 -43.78 46.7 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -174.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -84.99 12.47 7.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 54.64 37.92 29.02 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.108 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.28 119.07 69.8 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.263 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -62.94 144.01 92.38 Favored 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.806 2.337 . . . . 0.0 111.847 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.541 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -53.44 -32.14 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.34 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -52.52 -53.96 39.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.383 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -61.84 -36.33 80.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.63 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -59.23 -39.91 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.357 179.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 5.0 mm-40 -58.65 -38.2 77.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.973 0.416 . . . . 0.0 110.37 176.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -67.71 -46.61 71.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 13.5 m-85 -63.36 -19.61 64.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.614 -176.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -79.51 -10.62 59.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.196 0.522 . . . . 0.0 110.249 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -116.03 22.9 12.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.277 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 55.33 36.04 26.22 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.97 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -107.36 110.18 22.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.526 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.99 91.3 39.36 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.672 -178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -63.24 147.65 93.71 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.573 2.182 . . . . 0.0 112.442 176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.15 87.11 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.73 0.776 . . . . 0.0 110.925 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.608 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.2 t70 -146.44 145.1 30.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.852 -1.067 . . . . 0.0 108.812 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.24 -26.31 60.54 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.675 0.609 . . . . 0.0 111.374 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.3 m -63.14 -60.56 3.26 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.457 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.9 m -57.63 -37.57 73.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.571 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.608 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -65.36 -48.99 71.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.282 -173.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.79 -20.65 52.92 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.543 -177.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -59.88 -48.23 82.56 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 170.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.9 mm -60.43 -38.63 78.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.514 176.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -59.5 -52.11 67.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.771 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.6 t -59.14 -48.2 82.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.505 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.75 -47.92 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 121.22 0.533 . . . . 0.0 110.855 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -65.22 -25.68 67.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.785 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.55 -43.28 39.68 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.411 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -75.02 -23.91 58.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.8 mtp -86.86 3.95 43.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.944 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 55.95 44.06 26.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.926 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD22 HD23 ' A' ' 68' ' ' LEU . 7.3 mt -117.6 -18.85 9.61 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.868 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -137.42 134.58 36.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.548 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -112.68 137.08 51.5 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.12 -24.08 67.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.928 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.2 m -95.71 -64.07 1.09 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.851 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.91 -13.87 60.26 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.96 -148.59 22.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.165 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.43 123.96 11.47 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.454 2.103 . . . . 0.0 111.96 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -83.55 96.47 8.63 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 69' ' ' VAL . 90.4 t -50.22 -46.94 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.759 -174.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.69 -51.78 67.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.663 0.268 . . . . 0.0 111.331 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.01 -37.48 77.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.233 0.54 . . . . 0.0 109.987 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD22 ' A' ' 56' ' ' LEU . 21.1 mt -63.02 -43.48 98.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.185 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 65' ' ' VAL . 98.6 t -69.38 -42.99 81.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.053 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -64.37 -25.41 68.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.828 0.347 . . . . 0.0 111.427 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -90.85 -57.4 2.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.123 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' C ' ' H ' ' A' ' 74' ' ' HIS . 83.9 mt -63.75 -44.55 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.71 34.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 72' ' ' LEU . 18.7 t60 -65.86 90.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.305 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.43 28.91 31.61 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.33 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -147.22 166.54 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.605 0.24 . . . . 0.0 111.114 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -59.04 105.1 0.29 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.309 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.785 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.5 -47.51 81.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.081 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.13 -48.75 64.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 0.0 110.627 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.1 t -54.45 -45.98 70.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.482 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -54.29 -46.67 72.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.899 0.381 . . . . 0.0 111.326 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.0 m -66.34 -53.1 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.153 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.0 -33.09 71.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.858 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.74 -51.01 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-O 120.63 0.252 . . . . 0.0 110.886 173.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.3 mt -56.56 -31.99 64.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.802 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -73.11 -7.82 53.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.064 0.459 . . . . 0.0 110.952 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.37 -12.56 14.02 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 177.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.0 t -76.11 106.44 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.006 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -122.16 175.65 6.25 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -85.41 156.7 20.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.545 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -78.59 84.1 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.749 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.2 p -83.24 -25.24 31.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.454 ' OD1' ' HB3' ' A' ' 96' ' ' ASN . 4.6 p-10 -85.95 -10.05 55.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.883 0.373 . . . . 0.0 110.448 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 67.09 24.16 9.46 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.669 174.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.454 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 18.4 t-20 -130.06 120.76 25.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.1 72.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.698 -171.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 45.5 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.094 0.474 . . . . 0.0 109.734 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -76.66 -32.79 58.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.818 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -61.09 -52.32 65.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.91 90.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.165 0.507 . . . . 0.0 110.577 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.497 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 84.9 t80 -67.66 -31.25 71.11 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.821 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -66.06 -44.42 84.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.374 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.14 -45.24 95.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.807 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.43 -44.37 91.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.77 0.319 . . . . 0.0 110.861 -179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -65.54 -40.59 93.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.162 -176.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.6 t -62.35 -41.91 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 111.157 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.409 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.3 t80 -75.9 -50.93 13.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.089 -173.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -61.41 -23.99 66.2 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.151 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -61.45 -29.7 70.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.852 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -119.33 -26.8 5.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.983 -177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -134.48 65.41 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.638 -171.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.4 tp -86.52 -29.94 22.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.989 0.423 . . . . 0.0 110.759 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.1 m -61.88 -38.46 88.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.638 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.67 -34.21 77.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.399 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.78 -40.18 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.393 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.15 -46.14 82.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.034 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.49 -30.29 69.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.023 0.439 . . . . 0.0 111.343 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 46.1 t -54.61 -46.08 73.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.628 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.0 pt -90.42 -1.3 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.545 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -90.23 118.67 29.92 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.49 ' O ' ' HD2' ' A' ' 122' ' ' LYS . 2.9 pptp? -99.42 132.45 44.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.05 0.452 . . . . 0.0 110.083 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.359 -0.829 . . . . 0.0 109.635 179.31 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.422 H161 HD22 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 55.25 77.86 0.2 Allowed 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.739 0.649 . . . . 0.0 111.692 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.7 t80 -66.44 109.29 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.134 0.493 . . . . 0.0 109.907 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.44 118.41 36.5 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.61 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.87 137.78 23.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.466 0.651 . . . . 0.0 109.846 -176.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -90.44 106.29 18.4 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.923 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.3 p -79.46 178.87 7.8 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.296 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 m -52.88 -48.7 66.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 111.536 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.7 -40.79 98.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.554 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -65.2 -38.88 91.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.277 0.56 . . . . 0.0 109.936 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD21 ' H31' ' A' ' 201' ' ' ACD . 64.8 tp -63.95 -33.28 75.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.979 -179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.97 -30.48 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.974 0.416 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -63.74 -57.06 11.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.888 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -64.8 -39.0 92.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.366 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.405 HH22 ' CA ' ' A' ' 33' ' ' LYS . 1.4 ttt180 -64.8 -38.79 92.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.4 -175.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.4 m -67.47 -41.8 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.931 0.396 . . . . 0.0 110.647 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.67 -49.22 78.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.247 177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.2 m -64.79 -35.94 82.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.04 -49.81 83.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.135 0.493 . . . . 0.0 110.432 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.3 m -64.39 -37.6 88.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.938 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -77.0 -48.21 18.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.629 0.252 . . . . 0.0 111.414 -175.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.28 10.43 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.6 m120 54.98 40.14 31.9 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.101 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.7 mm -67.78 121.7 80.57 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.43 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -60.05 141.97 97.42 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.212 2.608 . . . . 0.0 111.936 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.43 -32.82 65.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.052 -0.977 . . . . 0.0 111.44 -178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -54.12 -52.27 61.59 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.487 0.492 . . . . 0.0 110.954 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -60.69 -38.38 84.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.34 -42.0 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.441 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 10.8 mt-10 -62.25 -38.62 89.98 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.728 0.299 . . . . 0.0 110.224 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -62.52 -48.55 79.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.447 ' CE2' HG23 ' A' ' 43' ' ' THR . 15.5 m-85 -61.91 -22.6 65.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.191 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' CA ' HH22 ' A' ' 15' ' ' ARG . 24.3 ttmm -74.76 -28.93 60.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.41 . . . . 0.0 110.045 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -104.53 29.6 6.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.439 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.7 m95 51.7 52.99 13.47 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.374 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.08 114.08 15.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.037 0.446 . . . . 0.0 110.397 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -120.23 91.35 46.04 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.273 -177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -59.36 141.06 97.1 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.54 2.16 . . . . 0.0 112.307 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -73.97 92.57 2.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.223 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -155.1 149.27 25.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.21 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -50.17 -45.23 53.19 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.303 0.377 . . . . 0.0 111.74 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 78.5 m -51.88 -54.15 32.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.718 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.447 HG23 ' CE2' ' A' ' 32' ' ' PHE . 24.5 m -60.58 -33.57 72.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.075 179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.9 mtt -69.42 -50.26 47.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.42 -175.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.4 m -64.81 -29.73 70.7 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.633 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -60.85 -51.18 70.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.183 176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.49 -37.77 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.69 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.39 -53.34 59.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.673 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.5 t -58.05 -46.04 86.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.382 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.1 t -63.12 -50.24 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -64.68 -26.26 68.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.98 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.82 -41.82 35.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.41 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -76.16 -22.8 54.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.354 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 83.6 mtp -82.34 -2.55 53.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 59.82 48.46 9.03 Favored 'General case' 0 C--N 1.338 0.071 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.024 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 68' ' ' LEU . 7.2 mt -124.17 -18.88 5.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.911 -176.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 74.2 t80 -141.11 137.64 32.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.303 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.514 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 31.0 t70 -122.72 142.77 50.34 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.376 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -74.03 -11.94 60.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.763 0.316 . . . . 0.0 111.229 -174.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.514 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 51.7 m -99.33 -63.99 1.08 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.26 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -79.38 -15.47 57.82 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.881 -175.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.91 -151.24 25.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.537 -177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -59.08 121.37 9.82 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.175 2.583 . . . . 0.0 111.704 177.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 mt -82.24 89.34 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.832 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 91.0 t -48.95 -46.3 16.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.753 -173.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -59.98 -51.86 67.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.591 0.234 . . . . 0.0 111.539 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.54 -34.64 78.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.868 0.366 . . . . 0.0 110.285 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 56' ' ' LEU . 18.4 mt -62.17 -47.64 83.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.506 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.436 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 94.7 t -68.06 -42.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.69 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -59.94 -29.82 68.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.904 0.383 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -88.96 -60.41 1.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.258 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' C ' ' H ' ' A' ' 74' ' ' HIS . 85.0 mt -63.53 -41.03 98.49 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.31 33.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.005 0.431 . . . . 0.0 111.99 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.6 t-80 -71.97 83.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.723 178.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.37 33.81 6.08 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.217 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' HD2' HD13 ' A' ' 115' ' ' LEU . 32.1 mtt180 -152.47 171.37 18.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.275 0.23 . . . . 0.0 110.715 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -67.64 107.51 2.56 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.471 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -35.78 68.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.048 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.8 -41.7 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.054 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -65.55 -45.0 85.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.95 0.405 . . . . 0.0 110.001 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.2 t -57.71 -47.58 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.318 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -50.95 -45.94 60.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.035 177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.2 m -65.11 -52.31 56.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -58.37 -40.14 81.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.643 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.7 t -60.02 -50.84 78.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-O 120.576 0.227 . . . . 0.0 110.963 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -57.44 -32.44 66.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.623 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.23 -8.55 55.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.073 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.7 m -113.05 -7.2 13.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.591 177.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.3 t -79.91 130.57 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.682 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -132.29 168.98 17.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.113 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -92.4 163.41 13.87 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.371 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 63.1 t30 -79.96 61.98 4.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.409 0.623 . . . . 0.0 111.332 -175.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 82.6 p -87.86 -5.14 58.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.647 0.737 . . . . 0.0 109.107 172.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -82.0 -22.74 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.619 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.85 19.91 11.35 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.181 174.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -147.67 121.87 9.55 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.845 0.355 . . . . 0.0 110.066 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.07 -32.73 74.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.251 -173.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.8 m -62.32 -45.74 91.88 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.872 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -80.88 -26.23 37.04 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.306 -176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.7 t90 -63.31 -52.83 60.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.986 178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.411 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -64.91 -40.74 95.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.905 178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 82.3 t80 -65.6 -32.95 74.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.197 -177.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -72.6 -37.04 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.0 -44.68 95.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.375 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -65.54 -47.57 75.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.717 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -62.23 -42.57 99.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.24 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.98 -45.49 94.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.957 0.408 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.435 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 34.2 t80 -72.8 -49.42 30.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.953 -174.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -63.61 -22.73 67.05 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.782 0.325 . . . . 0.0 111.43 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.028 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.01 -18.61 3.71 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.262 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -135.32 63.23 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.829 0.347 . . . . 0.0 111.191 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 51.1 tp -85.94 -32.76 21.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.801 0.334 . . . . 0.0 111.281 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -64.49 -32.24 73.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.908 0.385 . . . . 0.0 110.183 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 76' ' ' ARG . 53.9 tp -67.76 -36.17 80.03 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.052 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.439 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.6 mttt -64.9 -46.29 82.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.785 177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -17.66 60.94 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.828 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.2 t -69.24 -40.52 77.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.946 0.403 . . . . 0.0 110.675 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.4 pt -95.41 -7.57 9.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -90.54 118.1 29.74 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.239 -177.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp 71.33 137.6 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.232 0 O-C-N 124.183 0.927 . . . . 0.0 111.712 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.312 -0.852 . . . . 0.0 109.854 175.284 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.45 ' H31' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.715 0.293 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.78 118.86 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.94 0.4 . . . . 0.0 110.639 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -68.34 106.59 2.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.83 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.74 116.24 31.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.65 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 m -75.14 151.42 6.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.763 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -61.84 114.58 3.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.17 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.5 p -96.7 170.04 9.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.389 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.4 m -55.73 -49.83 72.0 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -63.01 -40.71 98.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -30.24 38.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.212 0.53 . . . . 0.0 110.637 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.29 -31.4 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.049 174.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.23 -25.5 66.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.811 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 30.9 ttm180 -66.88 -52.96 37.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.759 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.75 -41.92 96.37 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -37.46 85.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.605 -178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 30.6 m -64.87 -51.4 62.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.397 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 10.7 mt-10 -59.81 -39.47 85.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.364 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.35 -34.08 70.17 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.766 0.317 . . . . 0.0 111.284 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.1 t -67.31 -49.82 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 110.432 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 t -70.95 -20.2 62.48 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.93 -175.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.2 p -90.36 -47.39 7.77 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.911 0.386 . . . . 0.0 111.388 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.09 10.04 5.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.282 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 55.62 34.27 22.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.369 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -64.04 118.34 45.06 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.497 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -61.5 142.83 96.42 Favored 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.939 2.426 . . . . 0.0 111.791 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.47 -27.25 56.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.253 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.01 -55.54 19.87 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.023 175.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.2 m-85 -64.53 -37.95 89.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.251 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.67 -41.79 83.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.275 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -35.79 80.76 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -65.14 -46.17 82.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.718 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 12.5 m-85 -59.08 -29.31 67.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -63.56 -31.45 72.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.462 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -100.02 23.52 9.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.7 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.6 m95 50.0 42.99 25.39 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.23 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -111.02 109.63 19.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.831 176.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -114.97 92.62 31.4 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.289 -178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.91 146.94 76.72 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.503 2.135 . . . . 0.0 112.34 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -80.03 75.58 6.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.671 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.603 ' O ' ' HG3' ' A' ' 44' ' ' MET . 19.9 t70 -144.28 147.41 33.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.966 -174.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.89 -47.36 11.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 123.822 0.701 . . . . 0.0 111.973 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.9 m -51.69 -57.39 9.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.641 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.9 m -59.47 -34.23 72.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.296 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.4 mtt -67.27 -50.42 60.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.419 -174.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 91.3 m -64.91 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.671 0.272 . . . . 0.0 110.412 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -60.03 -51.7 68.51 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.182 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.14 -39.3 80.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.79 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 48' ' ' LYS . 12.9 tmtt? -61.95 -52.51 63.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.255 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.9 t -55.26 -47.08 75.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.018 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.4 t -64.09 -46.38 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.035 0.445 . . . . 0.0 111.329 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.5 -26.77 68.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.765 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.11 -38.04 37.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -62.78 -37.48 86.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.739 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.432 ' HE1' H101 ' A' ' 201' ' ' ACD . 72.6 mtp -86.93 8.0 24.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.328 -176.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 52.11 46.75 26.08 Favored 'General case' 0 C--N 1.338 0.106 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.315 -177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD22 HD23 ' A' ' 68' ' ' LEU . 7.5 mt -116.36 -16.13 10.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.812 -174.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -142.12 130.48 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.74 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -111.93 146.96 36.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.121 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -67.62 -18.96 65.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.993 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.4 m -102.58 -65.69 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.825 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -70.36 -21.25 62.9 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -176.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.1 -135.89 13.93 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.644 -175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.8 122.72 10.39 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.278 1.985 . . . . 0.0 111.939 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 61.0 mt -82.42 90.96 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.874 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.9 t -50.8 -45.62 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.584 -173.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.83 -52.26 65.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.653 0.263 . . . . 0.0 111.344 -176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -64.32 -33.01 74.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.918 0.39 . . . . 0.0 110.386 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 56' ' ' LEU . 18.0 mt -62.53 -45.61 92.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.056 177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 65' ' ' VAL . 87.2 t -66.1 -45.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.852 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -58.73 -30.82 67.76 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.094 0.474 . . . . 0.0 111.169 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -85.63 -60.41 2.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.002 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.689 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 94.5 mt -66.77 -41.44 87.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.701 -173.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.56 32.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.407 ' H ' ' C ' ' A' ' 72' ' ' LEU . 36.4 t-80 -74.02 85.71 1.8 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.71 23.07 10.34 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.594 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HD2' HD13 ' A' ' 115' ' ' LEU . 34.4 mtt180 -146.0 165.87 27.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 0.0 111.321 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -60.29 108.12 0.75 Allowed 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.944 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.22 66.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.821 -1.082 . . . . 0.0 112.443 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.14 -46.72 85.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.366 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.29 -42.25 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.891 0.377 . . . . 0.0 110.364 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.51 -48.02 90.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.4 176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 45.9 ttt180 -53.2 -45.74 68.71 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 121.032 0.444 . . . . 0.0 110.379 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 87' ' ' LYS . 9.9 m -60.13 -52.17 66.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.926 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -54.29 -44.22 71.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.36 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.6 t -59.28 -51.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 176.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.3 mt -61.04 -25.08 66.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.779 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 83' ' ' THR . 30.0 mtpp -78.62 -6.72 56.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.294 0.568 . . . . 0.0 110.314 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -117.56 -8.27 10.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.01 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 85' ' ' VAL . 95.8 t -75.24 112.81 13.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.76 174.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -131.96 179.46 6.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.189 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -87.41 155.97 19.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.868 -176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.433 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 1.0 OUTLIER -83.93 64.53 8.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.652 177.604 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 t -63.46 -15.74 58.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.501 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -89.53 -9.85 48.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.196 0.522 . . . . 0.0 110.755 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 55.29 44.8 26.84 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.724 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.44 121.64 6.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.703 -176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.44 -32.64 73.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -175.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.0 m -62.49 -41.04 98.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.425 177.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -82.8 -24.89 33.19 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.442 . . . . 0.0 110.204 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.433 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 8.9 t90 -73.14 -53.23 11.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.515 -178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.92 81.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.435 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 74.0 t80 -68.46 -31.09 70.14 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.591 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -65.03 -45.9 83.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.958 0.409 . . . . 0.0 110.043 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.42 -46.02 94.7 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.89 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -64.14 -47.52 79.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -60.55 -44.09 96.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.347 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.26 -43.67 98.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.455 . . . . 0.0 111.061 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 19.4 t80 -74.97 -47.99 26.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.766 -173.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.428 ' HB2' HD13 ' A' ' 113' ' ' LEU . 2.7 pp0? -69.05 -9.67 53.71 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.799 0.333 . . . . 0.0 111.376 -177.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -66.5 -35.01 79.21 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.004 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.24 -19.37 3.16 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.631 -176.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -123.69 51.91 1.47 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.695 0.283 . . . . 0.0 111.122 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.428 HD13 ' HB2' ' A' ' 109' ' ' GLN . 56.8 tp -83.0 -32.44 26.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.965 0.412 . . . . 0.0 110.873 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.7 m -62.93 -33.38 75.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 76' ' ' ARG . 56.4 tp -65.29 -40.61 94.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 176.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.36 -40.6 88.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.446 -178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.91 -30.01 70.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.814 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.05 -30.91 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.22 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.689 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 15.9 m -60.47 -36.17 77.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.427 -178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.7 pt -97.28 1.63 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.1 137.76 32.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.793 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.65 108.18 6.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.186 0.517 . . . . 0.0 111.315 177.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.013 178.158 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.432 H101 ' HE1' ' A' ' 54' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 ttp . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 121.145 0.498 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.37 93.28 8.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.063 0.459 . . . . 0.0 109.859 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -77.76 118.96 20.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.033 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.28 136.79 45.39 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.915 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -89.25 138.37 19.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 m -88.44 97.95 11.35 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.582 -178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.0 p -76.81 179.66 5.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.44 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 86.2 m -49.82 -48.19 50.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.266 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' OE2' ' HG2' ' A' ' 122' ' ' LYS . 2.1 mp0 -61.5 -45.97 91.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.697 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -63.58 -43.25 97.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.985 0.421 . . . . 0.0 110.221 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD21 ' H31' ' A' ' 201' ' ' ACD . 58.6 tp -63.19 -38.21 90.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.078 -177.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 8' ' ' THR . 80.3 mm-40 -67.2 -27.66 67.44 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.91 -177.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.691 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 77.1 ttt180 -67.65 -60.32 2.64 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.013 174.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.16 -37.99 72.89 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.017 -175.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.452 HH11 ' C1 ' ' A' ' 201' ' ' ACD . 0.9 OUTLIER -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.887 -178.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -65.95 -47.42 74.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.761 0.315 . . . . 0.0 111.2 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.691 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 16.1 mt-10 -63.21 -34.85 78.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.709 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.524 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 85.3 m -69.76 -34.59 73.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.767 0.318 . . . . 0.0 110.394 174.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.29 -50.67 72.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 121.072 0.463 . . . . 0.0 110.427 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.8 t -65.56 -28.73 69.37 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.406 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.2 t -83.44 -50.02 8.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.686 0.279 . . . . 0.0 111.5 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.9 mt -81.62 10.35 6.16 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -175.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 m120 55.82 34.66 23.91 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.452 179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.0 mm -64.47 121.14 70.95 Favored Pre-proline 0 N--CA 1.452 -0.346 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.76 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.44 142.48 97.93 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.036 2.491 . . . . 0.0 112.05 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -58.35 -30.24 66.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.38 -175.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -62.87 -42.01 99.6 Favored 'General case' 0 CA--C 1.533 0.296 0 O-C-N 122.972 0.17 . . . . 0.0 110.653 178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -61.68 -38.55 88.22 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.691 0.281 . . . . 0.0 111.137 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -60.21 -41.76 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 17.7 mt-10 -63.01 -35.65 80.94 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.407 176.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.98 -50.19 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.304 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.44 ' HB3' ' O1 ' ' A' ' 201' ' ' ACD . 15.7 m-85 -60.4 -23.32 64.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.226 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -69.65 -28.9 66.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.412 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -104.75 27.63 7.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.814 177.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.8 m95 50.45 46.16 25.61 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.979 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -113.05 109.37 18.71 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.695 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -114.2 97.77 46.53 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.642 -176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -59.94 140.59 93.62 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.516 2.144 . . . . 0.0 112.502 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -81.86 80.4 8.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.591 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.562 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -152.68 160.71 43.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.196 -176.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -49.8 -44.39 49.12 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.4 m -52.52 -60.96 2.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.152 0.501 . . . . 0.0 111.414 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 41.9 m -61.14 -33.26 73.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.567 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.6 mtt -66.4 -51.37 57.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.512 -176.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.95 -30.51 71.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.365 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.4 t80 -60.17 -50.71 72.61 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.649 176.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.9 mm -59.6 -38.92 77.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.02 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HD2' ' HB1' ' A' ' 97' ' ' ALA . 9.4 ttpt -63.1 -49.5 74.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.261 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.3 t -56.38 -48.29 77.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.361 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 46' ' ' TYR . 94.9 t -62.69 -47.13 94.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 121.289 0.566 . . . . 0.0 111.135 -177.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.478 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -67.89 -28.37 67.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.858 -177.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' A' ' 57' ' ' PHE . 3.4 t-20 -77.54 -38.48 48.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.291 -177.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.524 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 25.4 mtpp -71.36 -28.91 64.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.948 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.423 ' HE3' HD12 ' A' ' 56' ' ' LEU . 50.9 mtm -83.8 4.19 30.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.777 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 57.59 31.34 20.2 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.331 0.586 . . . . 0.0 111.735 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD22 HD23 ' A' ' 68' ' ' LEU . 7.3 mt -103.75 -18.62 14.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.693 0.758 . . . . 0.0 109.997 -176.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 52' ' ' ASN . 67.8 t80 -144.13 127.29 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.751 176.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -98.25 140.68 32.19 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -66.43 -9.45 34.17 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.398 -172.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.3 m -121.79 -57.04 1.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.828 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -77.83 -4.99 49.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.41 -157.31 42.29 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.543 -0.837 . . . . 0.0 113.535 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -63.38 122.3 10.41 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.383 2.722 . . . . 0.0 112.46 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -85.48 97.28 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.2 t -51.24 -45.49 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.829 -174.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.54 -52.21 66.14 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.51 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -61.67 -33.53 74.14 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.178 0.513 . . . . 0.0 110.166 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.425 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -62.96 -41.09 99.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.443 178.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.5 t -72.36 -41.3 65.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.86 0.362 . . . . 0.0 111.031 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -64.63 -26.85 68.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.045 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -90.6 -60.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 81.5 mt -61.32 -45.45 94.39 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -174.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.15 34.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 72' ' ' LEU . 55.6 t-80 -62.38 89.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.391 0.676 . . . . 0.0 110.462 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.76 30.4 35.87 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.358 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 76' ' ' ARG . 30.7 mtt180 -147.33 167.62 23.84 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.797 -0.237 . . . . 0.0 111.348 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.482 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.8 m-20 -57.97 101.47 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.969 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.53 -40.32 91.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.096 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -59.45 -46.6 88.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.131 0.491 . . . . 0.0 110.869 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 38.1 mt-10 -69.27 -40.1 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.459 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.573 ' O ' HG13 ' A' ' 85' ' ' VAL . 61.6 t -56.58 -51.37 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -49.84 -46.24 51.12 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.896 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.6 m -58.55 -50.91 72.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.117 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 23.0 mt-10 -64.76 -30.28 71.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -75.65 -33.17 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 C-N-CA 119.63 -0.828 . . . . 0.0 109.789 177.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.93 -29.9 70.4 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 61.8 pttt -77.92 -7.82 57.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.103 0.478 . . . . 0.0 110.368 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 m -105.16 -18.58 14.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.226 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 85' ' ' VAL . 87.1 t -71.97 130.83 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.903 175.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -144.89 160.01 41.99 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 -176.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -71.68 157.74 37.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.517 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -83.74 59.48 5.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.505 0.669 . . . . 0.0 110.697 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 44.8 p -83.72 -5.83 59.29 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.557 0.694 . . . . 0.0 109.564 173.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -80.71 -25.51 38.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.658 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 66.4 t30 62.33 33.49 16.42 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.21 -1.359 . . . . 0.0 111.948 174.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -152.91 118.65 5.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 48' ' ' LYS . . . -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -171.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 80.8 m -62.03 -44.46 96.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.894 0.378 . . . . 0.0 110.709 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.647 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.9 t-160 -78.78 -29.17 44.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.411 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -61.6 -54.08 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.328 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -66.34 -29.49 69.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.707 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.647 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 57.0 mtp180 -67.7 -45.29 75.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.408 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.75 -44.89 96.82 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.768 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -65.77 -46.29 79.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.692 0.282 . . . . 0.0 110.74 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -63.5 -41.95 98.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.158 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.5 t -61.69 -44.88 96.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.897 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -74.35 -47.67 32.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.237 -173.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -68.75 -11.89 60.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.615 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -77.5 -26.73 51.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.016 0.436 . . . . 0.0 110.382 178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -117.17 -27.54 6.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.143 -175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -139.74 66.03 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.523 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.3 tp -81.47 -26.72 35.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.977 0.418 . . . . 0.0 110.61 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.0 m -66.35 -36.53 83.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.755 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 36.1 tp -66.96 -35.17 79.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.144 0.497 . . . . 0.0 110.182 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.403 HG23 ' C9 ' ' A' ' 201' ' ' ACD . 82.7 mt -66.08 -45.19 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.247 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.3 mttm -63.32 -36.08 82.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.013 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.59 -31.34 59.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.121 -177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 94.1 p -65.37 -29.72 70.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.507 -176.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.2 pt -98.46 6.63 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.975 0.417 . . . . 0.0 111.192 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -73.97 121.46 21.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.103 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.417 ' HG2' ' OE2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -89.34 146.35 24.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.879 0.371 . . . . 0.0 110.983 179.417 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 C--O 1.251 1.184 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.185 -179.027 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.452 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.537 0.208 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -66.12 125.2 24.77 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 120.94 0.4 . . . . 0.0 111.188 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -88.36 123.56 33.06 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.974 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.94 132.79 56.37 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.908 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -91.66 148.78 4.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.131 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 p -67.54 95.14 0.45 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.693 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.4 p -81.59 -178.19 6.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.314 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 m -54.61 -37.69 65.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.264 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -64.52 -46.66 81.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.979 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.69 -39.88 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.242 0.544 . . . . 0.0 109.697 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.707 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 65.7 tp -60.95 -45.07 96.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.845 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -61.1 -31.9 71.58 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.987 0.422 . . . . 0.0 110.636 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -65.63 -44.27 86.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.379 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -69.77 -37.37 76.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.707 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 47.5 mtm180 -62.56 -33.87 75.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.694 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.7 m -67.19 -41.45 85.84 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.662 0.267 . . . . 0.0 110.879 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -65.74 -35.84 81.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.3 m -72.85 -34.89 67.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.788 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.71 -53.48 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.3 t -65.94 -19.71 65.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.513 -178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.2 t -90.26 -47.61 7.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.218 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.23 14.43 9.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 55.54 39.15 30.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.493 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.0 mm -73.45 119.93 78.44 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.736 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -62.86 145.87 94.78 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.829 2.353 . . . . 0.0 111.923 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.53 -32.0 64.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.513 -177.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -52.07 -49.89 62.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.504 0.502 . . . . 0.0 110.702 176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -59.17 -42.02 89.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.249 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.8 t -61.43 -38.36 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.474 -175.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.0 mt-10 -62.97 -38.26 90.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.123 0.487 . . . . 0.0 110.298 175.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -65.06 -45.97 83.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.158 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.468 ' HB3' ' O1 ' ' A' ' 201' ' ' ACD . 16.5 m-85 -59.22 -33.53 71.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -66.97 -16.47 64.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -115.5 24.23 11.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.544 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 88.5 m95 48.44 48.34 19.33 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.868 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -119.89 109.78 15.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.403 178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -115.32 98.7 51.17 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.734 -175.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.83 141.33 95.78 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.624 2.216 . . . . 0.0 112.508 176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -89.12 79.73 7.12 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.559 -176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.58 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.9 OUTLIER -155.51 160.78 40.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.627 178.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -51.14 -36.51 41.22 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -172.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.3 m -56.08 -59.88 4.29 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.667 0.27 . . . . 0.0 111.347 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.4 m -58.32 -33.73 69.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.0 111.158 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -66.71 -47.55 72.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.57 -174.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.06 -30.58 69.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.777 0.322 . . . . 0.0 110.203 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 33.8 t80 -60.44 -50.58 73.01 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.307 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.32 -40.18 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.758 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -60.34 -51.97 67.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.966 0.412 . . . . 0.0 110.156 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.16 -48.62 79.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.611 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.59 -43.21 98.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.242 0.544 . . . . 0.0 111.35 -177.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -65.53 -27.78 68.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.554 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -79.05 -35.01 43.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.276 0.56 . . . . 0.0 110.068 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -61.61 -37.42 83.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.7 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.425 ' SD ' HD13 ' A' ' 11' ' ' LEU . 98.0 mtp -85.49 1.84 47.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.255 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 60.91 54.06 3.58 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.494 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 mt -127.23 -19.4 4.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.568 -173.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -141.96 138.52 32.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 28.5 t70 -119.76 137.03 54.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.442 178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.4 -20.74 60.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.621 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.44 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 57.7 m -99.28 -65.76 0.94 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.874 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -76.26 -7.89 55.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.93 -152.81 35.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.918 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.91 121.33 9.77 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.074 2.516 . . . . 0.0 111.817 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -83.07 91.03 7.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.4 t -48.52 -44.49 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.621 -175.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -58.21 -54.69 44.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.664 0.269 . . . . 0.0 111.424 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.94 -33.05 74.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.014 0.435 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.06 -51.02 71.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.5 t -68.24 -38.9 80.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.873 0.368 . . . . 0.0 110.323 177.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -61.0 -32.19 71.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.278 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -90.66 -57.65 2.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.988 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.727 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 91.9 mt -59.8 -42.54 93.67 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -174.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.25 34.6 0.09 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.133 0.492 . . . . 0.0 111.901 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 72' ' ' LEU . 68.8 t60 -66.35 85.77 0.1 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.222 179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.07 29.09 23.83 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -149.25 166.46 28.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.681 0.241 . . . . 0.0 111.351 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.514 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.3 m-20 -55.49 110.37 0.69 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.405 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.17 83.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.846 -177.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -62.7 -46.5 87.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.913 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.92 -45.83 89.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.134 0.492 . . . . 0.0 110.192 176.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 77' ' ' ASP . 91.9 t -59.36 -48.29 87.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.562 179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -56.24 -44.47 79.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.778 0.323 . . . . 0.0 110.742 176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.0 m -60.63 -53.46 57.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.056 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -55.5 -42.99 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.567 178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.3 t -57.59 -51.43 70.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.816 0.341 . . . . 0.0 111.002 176.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.44 -30.34 70.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.44 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt -74.23 -4.25 34.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.803 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 m -119.96 -9.13 9.71 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.261 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 85' ' ' VAL . 69.4 t -75.1 123.2 30.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 120.954 0.406 . . . . 0.0 110.839 178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -114.41 178.54 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.939 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -100.68 155.36 17.93 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.31 173.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.463 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 59.6 t30 -78.6 71.05 5.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 110.703 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.5 p -90.22 -9.04 49.53 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.046 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' CG ' HH12 ' A' ' 103' ' ' ARG . 4.3 m-20 -81.06 -18.8 45.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.902 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 61.36 23.9 14.08 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.472 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -146.67 107.85 4.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.441 -176.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.823 -174.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 62.2 m -63.98 -41.13 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.778 0.323 . . . . 0.0 110.815 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -77.4 -31.08 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.463 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.4 t90 -62.6 -53.48 53.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.366 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.43 84.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.134 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 82.9 t80 -66.39 -35.87 81.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.583 -175.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 103' ' ' ARG . 31.2 ttp180 -72.32 -33.67 67.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -178.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.29 -46.19 91.43 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.462 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -64.9 -46.97 79.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.941 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -63.38 -42.61 98.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.054 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.8 t -60.95 -45.66 93.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 110.885 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.456 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 28.4 t80 -70.41 -50.0 43.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.002 -173.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.69 -26.75 68.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.812 0.339 . . . . 0.0 111.347 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -66.86 -23.1 65.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.048 0.451 . . . . 0.0 110.734 -177.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -112.84 -35.96 5.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -136.61 73.65 1.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.969 -171.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 60.8 tp -87.09 -32.45 19.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.752 0.311 . . . . 0.0 111.174 -179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -34.66 78.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.53 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.2 tp -64.39 -38.54 91.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.983 0.42 . . . . 0.0 110.053 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.54 -42.29 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.316 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -37.91 89.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.586 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.52 -34.27 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.554 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.727 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 17.2 m -61.52 -32.42 72.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.884 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.38 7.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.886 0.374 . . . . 0.0 111.268 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -87.04 133.27 33.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.937 0.398 . . . . 0.0 111.077 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -67.44 124.34 22.9 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.531 -178.313 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.548 ' H31' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.774 0.321 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -116.59 113.81 23.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.906 0.384 . . . . 0.0 110.461 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -88.78 126.92 35.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.95 130.91 55.47 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.851 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.96 155.86 3.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 p -85.8 91.77 8.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.938 -175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.8 p -76.83 -173.1 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.87 178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 3.3 m -56.62 -40.0 74.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.723 0.297 . . . . 0.0 111.089 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.52 -50.7 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.795 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -59.81 -39.72 85.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD21 ' H31' ' A' ' 201' ' ' ACD . 64.7 tp -62.84 -40.83 98.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.386 -178.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 8' ' ' THR . 43.0 mt-30 -69.44 -27.01 64.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 0.0 110.022 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.2 ttm180 -65.84 -58.01 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.469 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -60.93 -35.6 77.13 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.043 0.449 . . . . 0.0 111.305 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.476 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.2 OUTLIER -63.15 -39.49 94.83 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.702 -175.546 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 m -64.79 -43.71 92.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.834 0.349 . . . . 0.0 110.572 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 3.2 mm-40 -61.02 -39.49 89.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.347 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.0 m -71.15 -32.82 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.627 0.251 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.3 -52.9 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.656 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.2 m -64.47 -31.09 72.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.0 -178.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.5 m -79.87 -45.19 19.11 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.655 0.243 . . . . 0.0 111.655 -176.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.01 9.68 24.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -175.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.3 t30 55.37 35.72 25.59 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.131 0.491 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.64 121.74 72.31 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.469 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -60.51 139.67 87.43 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.789 2.326 . . . . 0.0 111.468 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.555 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.91 -34.27 65.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.483 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.409 ' OD1' ' HE2' ' A' ' 31' ' ' LYS . 18.6 t70 -53.83 -49.92 67.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.227 176.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -61.21 -38.97 88.51 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.537 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.75 -44.5 86.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.077 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -64.58 -32.77 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.989 179.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HE2' ' OD1' ' A' ' 27' ' ' ASP . 66.5 mttm -62.12 -52.81 62.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.91 0.386 . . . . 0.0 110.307 174.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.492 ' CE1' HG23 ' A' ' 43' ' ' THR . 9.3 m-85 -59.97 -33.51 72.04 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.481 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -62.32 -26.54 68.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.751 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -107.54 32.75 4.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.936 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.3 m95 50.63 41.93 26.4 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -126.15 113.15 16.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.293 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -116.59 102.93 53.13 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.592 -175.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.51 145.62 97.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.416 2.077 . . . . 0.0 112.385 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -81.45 81.38 7.59 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.271 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -148.74 146.16 27.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.985 -173.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -44.45 -47.96 9.94 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.749 0.656 . . . . 0.0 112.506 -176.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.8 m -53.99 -52.93 59.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.564 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.492 HG23 ' CE1' ' A' ' 32' ' ' PHE . 25.1 m -60.89 -34.02 74.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.205 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 62.5 mtt -67.3 -51.81 48.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.344 -175.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 85.1 m -67.14 -28.52 68.21 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.099 -0.241 . . . . 0.0 110.82 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -61.42 -51.7 67.66 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.838 0.351 . . . . 0.0 110.058 175.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.49 -38.93 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.594 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -60.44 -53.09 61.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.379 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.639 ' SG ' ' HE2' ' A' ' 53' ' ' LYS . 16.2 t -57.01 -46.98 81.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.546 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.26 -48.02 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.116 0.484 . . . . 0.0 110.744 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -65.67 -24.62 67.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.902 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -80.22 -40.14 27.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.467 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.639 ' HE2' ' SG ' ' A' ' 49' ' ' CYS . 65.1 mttm -74.71 -26.04 59.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.734 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 77.6 mtp -82.87 -0.2 47.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.805 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 57.08 50.82 11.31 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.195 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -122.92 -17.52 6.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.037 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -139.46 135.16 33.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.843 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -118.18 144.23 45.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.91 -20.87 65.14 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.5 m -99.11 -64.16 1.06 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.509 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -75.76 -16.44 60.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -175.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.84 -148.57 22.65 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.23 -0.985 . . . . 0.0 112.324 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.35 121.18 9.07 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 123.05 2.5 . . . . 0.0 111.693 177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -81.38 95.82 7.15 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.9 t -51.17 -44.33 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.838 -1.074 . . . . 0.0 112.523 -174.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.79 -49.54 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.784 0.325 . . . . 0.0 111.437 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -63.39 -34.57 78.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.167 0.508 . . . . 0.0 110.163 177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.4 mt -65.24 -44.44 88.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.47 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 65' ' ' VAL . 99.1 t -68.22 -42.57 84.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 120.907 0.384 . . . . 0.0 110.295 176.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -60.93 -26.73 67.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.324 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -91.16 -60.71 1.83 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.023 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 96.8 mt -67.03 -41.22 86.93 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -171.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.94 34.0 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -176.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.441 ' H ' ' C ' ' A' ' 72' ' ' LEU . 26.9 t-80 -75.45 84.25 2.54 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.26 29.38 6.76 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.734 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.54 ' HD3' HD13 ' A' ' 115' ' ' LEU . 18.8 mtp180 -152.51 168.03 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.597 0.198 . . . . 0.0 110.661 177.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' O ' HG23 ' A' ' 81' ' ' VAL . 26.3 m-20 -64.16 106.27 1.04 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 179.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.66 68.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.089 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -64.14 -39.97 95.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.681 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -69.62 -43.16 73.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.109 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 77' ' ' ASP . 90.4 t -57.11 -43.7 81.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.274 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -54.07 -43.66 70.49 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.015 0.436 . . . . 0.0 110.675 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.8 m -62.5 -54.75 35.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.283 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -56.52 -42.7 78.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.475 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.4 t -59.15 -50.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.04 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.4 mt -56.52 -31.83 64.5 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.747 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -75.91 -7.02 53.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.004 0.43 . . . . 0.0 110.939 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.0 m -113.23 -11.59 13.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.566 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.1 t -71.42 103.57 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-O 121.262 0.553 . . . . 0.0 109.92 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.04 176.98 4.98 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.106 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -100.03 152.08 20.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.868 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -77.34 64.24 2.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.658 0.742 . . . . 0.0 110.865 -176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.1 p -76.02 -19.98 58.19 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.17 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -83.41 -13.0 55.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.745 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 58.66 29.05 18.02 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.487 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -146.51 126.68 13.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.239 -178.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.84 -35.51 78.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.713 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 85.1 m -62.23 -41.24 98.23 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.185 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -71.42 -30.95 66.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.6 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -70.31 -52.09 25.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.721 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.62 -44.59 86.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.394 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 87.2 t80 -64.28 -33.11 75.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.87 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -70.47 -36.55 73.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.301 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.51 -46.37 90.45 Favored Glycine 0 C--N 1.33 0.248 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -64.33 -45.32 88.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.1 tttt -63.24 -38.64 91.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.453 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.6 t -65.52 -43.67 89.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.153 0.501 . . . . 0.0 111.134 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 33.8 t80 -76.62 -47.28 22.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.373 -172.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.0 -24.86 66.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.571 -177.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -66.26 -26.01 67.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.938 0.399 . . . . 0.0 110.526 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -116.95 -24.7 7.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.304 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -139.74 61.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -80.99 -34.22 33.13 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.499 -0.481 . . . . 0.0 110.478 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.5 m -62.79 -34.38 77.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.089 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.54 HD13 ' HD3' ' A' ' 76' ' ' ARG . 62.3 tp -68.08 -35.57 78.4 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.59 177.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 80.7 mt -65.94 -39.66 85.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.223 0.535 . . . . 0.0 110.333 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.71 -46.38 79.18 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.717 177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.74 74.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.1 t -54.5 -47.46 73.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.483 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.8 pt -94.38 -0.08 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.508 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -84.97 119.2 25.12 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.0 0.428 . . . . 0.0 110.971 -175.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -155.96 135.85 12.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.569 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.134 177.555 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.476 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.895 0.378 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -88.35 121.64 30.96 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.896 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -66.52 124.71 23.56 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.269 0.557 . . . . 0.0 110.522 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.34 113.22 25.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.558 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.436 ' HB ' HE22 ' A' ' 71' ' ' GLN . 0.9 OUTLIER -85.67 148.38 4.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.42 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -92.45 105.87 17.97 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.027 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 p -79.35 177.12 9.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.518 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.0 m -53.13 -47.11 68.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.603 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.84 -41.18 99.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.623 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -63.4 -39.29 94.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.072 0.463 . . . . 0.0 109.774 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.4 tp -64.61 -37.19 86.7 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.943 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -70.72 -24.04 62.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 0.0 110.271 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -70.07 -52.77 21.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.98 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -62.75 -38.97 92.64 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.851 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.646 HH21 ' C1 ' ' A' ' 201' ' ' ACD . 5.0 ttm180 -59.06 -43.09 91.69 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.044 0.449 . . . . 0.0 110.035 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.0 m -61.71 -51.33 68.83 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.375 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -40.53 90.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 -176.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.9 m -65.27 -33.93 77.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.559 0.219 . . . . 0.0 110.911 178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -65.8 -54.18 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.601 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.1 t -65.5 -22.02 66.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.603 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.4 t -87.87 -48.19 8.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.0 mt -84.6 11.42 8.88 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.6 m120 57.33 32.92 22.54 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.406 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.64 120.68 67.87 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.651 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.55 140.44 93.95 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.796 2.33 . . . . 0.0 111.958 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.15 -29.61 58.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.94 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -57.11 -49.27 76.42 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.464 0.477 . . . . 0.0 111.145 176.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -61.01 -35.78 77.75 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.73 -43.26 87.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.204 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.52 -36.11 77.59 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.742 0.306 . . . . 0.0 110.648 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -63.02 -53.62 50.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 178.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -59.89 -32.0 70.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.874 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -59.25 -30.18 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.525 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -104.19 16.89 25.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.5 m95 56.28 44.4 24.86 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -177.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -109.75 109.37 20.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.518 176.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -115.83 97.58 49.34 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.569 -177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -64.3 146.4 90.01 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.544 2.163 . . . . 0.0 111.928 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -77.39 80.94 3.88 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.452 0.644 . . . . 0.0 109.461 175.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.66 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -141.96 150.24 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.161 -177.445 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.49 -42.31 67.14 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.222 0.326 . . . . 0.0 111.789 -174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.3 m -57.03 -56.59 19.77 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.467 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.3 m -56.86 -35.01 68.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.66 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.3 mtt -65.38 -49.72 68.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.297 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.5 m -66.78 -29.91 69.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.729 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -61.21 -47.48 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.898 0.38 . . . . 0.0 110.333 175.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.9 mm -60.97 -38.47 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.633 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -59.7 -52.16 66.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.8 t -58.96 -47.29 85.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.06 -48.81 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 111.385 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.492 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.3 m-30 -62.69 -29.05 70.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 110.854 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -78.85 -38.33 38.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.264 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -70.07 -27.4 64.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.646 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.6 mtp -87.49 2.59 50.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.55 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 54.92 35.56 24.74 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.945 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.431 HD22 HD23 ' A' ' 68' ' ' LEU . 7.1 mt -106.61 -15.66 14.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.522 -177.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.492 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.2 t80 -136.86 134.31 36.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.492 177.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -113.08 142.78 45.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.834 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -66.68 -19.48 65.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.841 -174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.3 m -109.22 -56.76 2.25 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.604 -175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.9 -15.42 57.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.644 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.49 -149.8 27.76 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.206 -177.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -59.76 123.57 13.55 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.956 2.437 . . . . 0.0 111.885 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -84.6 93.0 8.28 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -54.03 -35.68 29.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.016 -174.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.24 -56.36 22.52 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.765 0.317 . . . . 0.0 110.902 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -59.79 -37.39 78.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.182 0.515 . . . . 0.0 110.297 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.431 HD23 HD22 ' A' ' 56' ' ' LEU . 18.2 mt -63.04 -45.9 90.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.806 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 65' ' ' VAL . 89.6 t -68.92 -41.97 82.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.889 0.376 . . . . 0.0 110.684 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -64.6 -24.98 67.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.263 0.554 . . . . 0.0 110.534 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 29.2 tp60 -90.0 -59.93 2.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.135 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.36 -45.82 89.41 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.45 -175.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.83 33.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -72.43 84.6 1.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.04 0.447 . . . . 0.0 109.863 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.76 26.7 8.89 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.255 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -150.36 166.39 30.18 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.935 -0.156 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.47 105.59 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.374 0.607 . . . . 0.0 111.631 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.74 -36.83 72.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.814 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -66.3 -39.11 89.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.986 0.422 . . . . 0.0 111.028 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.95 -46.0 86.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.384 0.611 . . . . 0.0 109.446 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.2 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.667 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -53.92 -43.97 70.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 122.79 0.436 . . . . 0.0 110.74 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.4 m -61.31 -51.94 66.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -58.44 -44.93 89.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.481 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 89' ' ' VAL . 39.6 t -55.98 -50.82 67.23 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 CA-C-O 120.802 0.334 . . . . 0.0 111.237 177.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.5 mt -57.7 -31.93 66.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.627 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -74.32 -8.17 55.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.176 0.513 . . . . 0.0 110.745 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 24.4 m -114.15 -11.28 12.68 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.801 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 85' ' ' VAL . 79.6 t -75.55 102.41 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -122.74 158.66 29.66 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.624 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -74.94 151.64 38.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.219 0.533 . . . . 0.0 111.239 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.402 ' HB2' ' CD2' ' A' ' 100' ' ' TRP . 57.5 t30 -77.74 76.43 4.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.462 -178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.9 p -81.97 -26.32 34.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.898 -175.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -82.36 -14.91 54.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 110.675 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 66.76 21.57 10.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.177 -0.919 . . . . 0.0 113.282 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -122.88 115.89 22.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.196 0.522 . . . . 0.0 110.09 172.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.64 -32.5 65.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.492 -174.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 76.8 m -64.7 -37.4 87.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.439 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.415 ' HD2' ' SD ' ' A' ' 44' ' ' MET . 47.4 t-80 -85.53 -20.24 29.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -177.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.402 ' CD2' ' HB2' ' A' ' 92' ' ' ASN . 10.0 t90 -69.73 -53.19 19.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.913 0.387 . . . . 0.0 110.128 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.65 -34.78 76.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.462 0.648 . . . . 0.0 109.952 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 62.5 t80 -72.79 -28.65 62.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.574 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -66.27 -46.34 77.38 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.939 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.05 -45.69 93.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.946 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -64.81 -46.8 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.657 0.265 . . . . 0.0 111.113 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -66.73 -37.79 85.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.12 -175.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.7 t -64.19 -42.82 96.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.34 -48.14 21.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.264 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.94 -20.44 65.22 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.05 0.452 . . . . 0.0 111.059 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -60.36 -36.72 78.67 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.453 179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.83 -31.7 6.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.713 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -133.04 70.46 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.186 -173.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -84.77 -36.3 21.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.639 0.257 . . . . 0.0 111.412 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.7 m -62.65 -34.54 77.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.948 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -64.59 -33.75 76.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.057 0.456 . . . . 0.0 110.188 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 57.1 mt -66.17 -41.79 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.229 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -69.77 -37.9 76.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.826 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.58 -31.89 67.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.452 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.472 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.0 t -56.5 -45.28 81.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.545 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 27.4 pt -85.83 -2.41 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 -177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -83.56 119.32 24.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.013 0.435 . . . . 0.0 110.702 -179.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -147.11 97.06 2.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.821 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.628 178.257 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.646 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.245 0.545 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -112.93 57.26 0.66 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -75.24 121.73 22.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.286 -175.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -125.94 131.34 52.31 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.963 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -85.65 147.0 5.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.439 -177.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -75.79 98.8 4.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.823 -177.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 67.8 p -86.37 -170.25 3.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.816 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.435 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 69.5 m -59.57 -46.6 88.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.118 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.47 -44.29 84.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.41 -47.6 81.32 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.094 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.592 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.9 tp -57.79 -36.83 72.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.074 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 8' ' ' THR . 57.2 mt-30 -58.16 -40.73 82.16 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.951 -178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 51.3 ttt180 -66.11 -46.12 78.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.616 177.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-30 -62.24 -33.44 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.026 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 17.2 mtt180 -60.03 -53.32 59.23 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 175.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -52.59 -52.02 57.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.466 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.8 mt-10 -64.23 -31.6 72.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.838 -176.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' SG ' ' HD3' ' A' ' 53' ' ' LYS . 97.8 m -76.52 -32.86 58.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.773 175.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.17 -51.52 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.7 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.3 p -65.84 -31.54 72.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.718 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.8 m -76.39 -50.02 15.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.633 0.254 . . . . 0.0 111.365 -177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.4 mt -82.83 4.52 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 111.805 -176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t30 56.44 41.35 28.95 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.866 -177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.18 125.06 89.53 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.471 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -64.37 143.64 83.33 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.779 2.319 . . . . 0.0 111.49 176.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.49 -31.81 62.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.401 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.17 -54.26 32.96 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.239 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 50.5 m-85 -61.9 -36.96 82.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.231 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -58.24 -44.43 87.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.802 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.3 mt-10 -61.3 -35.59 77.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.041 0.448 . . . . 0.0 110.21 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -69.94 -45.74 66.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.245 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.577 ' HB3' ' O2 ' ' A' ' 201' ' ' ACD . 17.7 m-85 -58.03 -41.54 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.964 0.411 . . . . 0.0 111.375 -179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -63.52 -27.46 69.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.374 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -96.72 21.97 8.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.438 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 99.4 m95 53.21 44.74 29.81 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.024 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -125.58 114.22 18.45 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -118.84 93.67 46.78 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.19 -173.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.5 147.43 86.31 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.625 2.217 . . . . 0.0 113.131 178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -75.54 84.51 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.191 179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' O ' ' HG3' ' A' ' 44' ' ' MET . 21.2 t70 -157.36 147.2 20.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.293 -178.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.71 -31.31 47.58 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.342 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 31.9 m -57.25 -57.88 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.148 0.499 . . . . 0.0 110.634 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.438 HG23 ' CE1' ' A' ' 32' ' ' PHE . 27.3 m -59.39 -36.36 75.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.413 178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.573 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 61.2 mtt -63.34 -52.1 63.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.359 -174.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -23.13 56.49 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.516 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -58.6 -46.43 87.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.18 -40.03 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.886 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -61.96 -48.92 78.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.749 0.309 . . . . 0.0 110.305 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 t -57.53 -48.33 79.58 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.376 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG11 ' H32' ' A' ' 201' ' ' ACD . 76.7 t -65.33 -47.44 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-O 121.049 0.452 . . . . 0.0 111.216 -177.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.0 m-30 -64.23 -27.86 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.07 -178.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -78.07 -37.31 46.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.893 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.478 ' HD3' ' SG ' ' A' ' 18' ' ' CYS . 24.2 mtpp -71.46 -27.54 63.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.133 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 94.3 mtp -87.92 1.34 54.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.079 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 56.23 49.87 14.52 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.533 -177.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD22 HD23 ' A' ' 68' ' ' LEU . 7.6 mt -121.33 -19.84 6.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.872 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 68.9 t80 -137.07 132.12 33.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.106 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.33 135.4 45.04 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.02 -19.63 65.92 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.204 0.526 . . . . 0.0 111.303 -172.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 35.7 m -100.16 -59.44 1.71 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.985 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -82.11 -17.53 46.12 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -173.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.46 -154.55 21.06 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.229 -0.986 . . . . 0.0 113.224 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_exo -59.87 122.34 11.26 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.085 2.523 . . . . 0.0 112.153 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.7 mt -86.26 89.53 7.88 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 69' ' ' VAL . 79.2 t -51.06 -41.98 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 114.955 -1.021 . . . . 0.0 112.727 -173.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.84 -51.77 68.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.742 0.306 . . . . 0.0 111.201 -176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -65.43 -34.73 78.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.463 . . . . 0.0 110.389 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 HD22 ' A' ' 56' ' ' LEU . 17.5 mt -60.57 -47.51 85.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.24 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 65' ' ' VAL . 95.7 t -65.8 -41.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.309 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.72 -30.72 69.01 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.083 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -90.94 -56.61 3.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.259 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.406 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.9 mt -64.52 -42.45 95.78 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -175.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.95 32.92 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -68.3 89.74 0.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.876 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.59 30.46 13.45 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.205 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -146.94 178.15 8.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 111.547 -178.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -70.74 107.83 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 -36.24 73.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.364 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.37 -47.69 84.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.773 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.2 tt0 -63.1 -49.26 75.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.3 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.6 t -58.72 -46.32 90.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.45 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -54.54 -44.81 73.17 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.86 0.362 . . . . 0.0 110.759 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.1 m -62.13 -53.1 60.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.189 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.6 mt-10 -59.52 -35.98 75.23 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.713 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 37.4 t -64.38 -51.01 73.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.601 0.239 . . . . 0.0 111.173 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.47 -32.62 67.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.66 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.83 -8.54 54.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.975 0.417 . . . . 0.0 111.06 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 15.6 m -114.56 -7.64 12.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.173 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 75.9 t -72.27 108.66 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-O 121.335 0.588 . . . . 0.0 110.138 176.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -113.89 172.11 7.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.342 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -100.98 163.43 12.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.013 0.435 . . . . 0.0 110.862 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.541 ' HB2' ' CD2' ' A' ' 100' ' ' TRP . 58.5 t30 -85.36 64.09 8.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.606 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.9 p -74.34 -20.27 60.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.6 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -84.4 -11.07 56.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.117 -177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.6 t30 66.34 25.53 10.4 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.506 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.7 114.61 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.33 70.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.421 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 39.5 m -62.13 -40.26 95.32 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.115 0.483 . . . . 0.0 110.226 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -80.88 -26.81 36.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.745 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.541 ' CD2' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -63.31 -56.81 13.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.666 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.48 -35.78 78.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.729 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 44' ' ' MET . 71.8 t80 -66.02 -34.0 77.09 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.072 -178.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 103' ' ' ARG . 20.9 ttp180 -68.23 -39.31 82.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.65 0.262 . . . . 0.0 110.496 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.45 ' O ' H191 ' A' ' 201' ' ' ACD . . . -63.06 -46.49 93.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.527 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -65.87 -48.3 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.823 0.344 . . . . 0.0 110.735 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -60.85 -42.9 98.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.421 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.3 t -60.69 -42.93 98.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 111.169 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.406 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 26.0 t80 -74.18 -46.78 39.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.654 -173.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.66 -9.82 52.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -64.5 -36.53 84.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.997 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -130.29 -14.88 3.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -126.13 51.74 1.76 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.9 tp -83.5 -28.17 28.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.05 0.452 . . . . 0.0 110.609 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.4 t -66.29 -32.23 73.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.1 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.94 -34.35 75.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.142 176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 66.4 mt -66.66 -40.83 87.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.207 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.34 -34.71 78.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.516 177.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.06 -31.26 62.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.423 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.8 t -59.06 -41.3 87.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.669 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.9 pt -92.72 0.82 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.135 0.493 . . . . 0.0 111.137 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -91.27 130.61 37.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.873 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -84.38 134.67 34.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.853 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.577 -178.264 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.577 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 ttp . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.084 0.468 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.57 128.78 54.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.58 -176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -76.42 124.98 28.39 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.938 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 129.54 56.03 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.903 177.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.82 144.66 9.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -90.33 105.62 17.94 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.35 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.9 p -81.81 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.881 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.0 m -58.32 -41.56 84.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.921 0.391 . . . . 0.0 110.924 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.29 -44.53 96.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.041 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -64.96 -40.53 95.13 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.044 0.449 . . . . 0.0 109.97 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.615 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.7 tp -58.68 -43.58 90.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.52 -175.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -62.13 -31.14 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 -175.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -70.45 -40.67 73.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.341 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.64 -37.4 82.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.08 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.641 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 25.3 mtm180 -64.95 -39.1 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.5 m -66.56 -45.76 78.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -54.82 -40.44 69.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.528 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.7 m -77.96 -31.64 50.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.579 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.49 -52.1 64.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.92 0.39 . . . . 0.0 110.516 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -66.63 -31.86 72.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.43 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 t -75.28 -48.6 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.714 0.292 . . . . 0.0 110.973 -176.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -89.08 10.53 21.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 54.6 39.98 31.55 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.244 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.1 mm -66.55 122.28 81.13 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.69 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.63 143.04 91.87 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.827 2.351 . . . . 0.0 111.271 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.578 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.01 -32.68 61.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.202 -177.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -49.73 -55.26 14.57 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.701 0.626 . . . . 0.0 111.128 176.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -63.13 -36.93 85.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.694 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.41 -42.14 86.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.659 -178.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.4 mt-10 -58.44 -35.61 72.39 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.134 0.492 . . . . 0.0 110.469 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -67.31 -48.8 66.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.685 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 43' ' ' THR . 11.0 m-85 -60.66 -31.85 71.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.949 -178.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HA ' HH22 ' A' ' 15' ' ' ARG . 34.9 tttm -71.19 -10.06 59.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -119.72 21.64 11.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.3 m95 57.68 44.95 19.81 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.227 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -119.05 116.02 25.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.007 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -122.86 84.7 49.98 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.401 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.08 148.53 88.93 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.689 2.26 . . . . 0.0 112.46 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -73.46 90.02 1.69 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.977 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.563 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.6 t70 -154.98 145.98 22.64 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.087 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.95 -25.56 66.89 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.746 -172.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m -62.64 -57.85 9.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 176.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.418 HG23 ' CE1' ' A' ' 32' ' ' PHE . 25.9 m -55.77 -35.78 66.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.26 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.575 ' HG2' ' CG ' ' A' ' 102' ' ' PHE . 66.2 mtt -65.35 -51.16 62.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.41 -176.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.577 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 85.5 m -64.29 -31.15 72.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.603 177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.9 mm -62.49 -41.45 91.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.023 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.633 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.0 OUTLIER -63.25 -45.68 90.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.424 -179.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -57.36 -47.73 80.86 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.132 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.27 -46.74 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-O 121.267 0.556 . . . . 0.0 110.856 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.463 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 4.0 m-30 -65.29 -25.18 67.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.725 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -79.86 -37.83 34.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.845 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -69.38 -27.66 65.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.3 mtp -91.51 5.62 48.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.516 -178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 55.98 46.96 20.88 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.254 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.49 -18.15 6.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.222 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 78.4 t80 -140.27 139.44 35.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.577 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -118.67 140.83 49.3 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.04 -10.12 59.33 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.886 0.374 . . . . 0.0 111.669 -173.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.5 m -110.51 -57.21 2.25 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.156 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -82.55 -8.63 59.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.016 -175.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.56 -154.98 36.93 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.638 -0.792 . . . . 0.0 113.067 177.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.77 121.99 10.88 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.093 2.529 . . . . 0.0 111.837 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -83.3 90.27 7.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.121 0.486 . . . . 0.0 109.743 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.9 t -50.24 -44.92 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.574 -173.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.08 -55.26 37.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.5 0.191 . . . . 0.0 111.364 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.7 -35.12 77.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.855 0.36 . . . . 0.0 110.601 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.4 -42.52 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.097 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 65' ' ' VAL . 87.5 t -70.53 -44.73 76.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -62.29 -24.82 67.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.887 0.375 . . . . 0.0 111.512 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -89.83 -60.26 1.98 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.041 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 95.9 mt -63.77 -46.11 86.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.265 -175.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -74.76 34.06 0.1 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -177.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -69.98 84.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.972 0.415 . . . . 0.0 110.029 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.36 37.7 5.27 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.859 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 mtt180 -154.66 165.12 37.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.535 0.207 . . . . 0.0 110.816 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -62.32 107.92 1.0 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.658 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.14 -39.18 71.88 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.975 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.11 -39.22 89.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.037 0.446 . . . . 0.0 111.149 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -48.51 71.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.8 t -59.52 -48.09 88.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.845 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -53.04 -40.41 63.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.3 m -65.01 -55.51 18.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.715 -176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.3 -27.62 69.45 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.51 -50.2 77.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.856 0.36 . . . . 0.0 110.587 171.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.5 mt -58.09 -31.0 66.7 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.778 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.14 -19.35 65.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.189 0.518 . . . . 0.0 110.687 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -104.59 -9.48 18.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.966 -177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.9 t -77.45 105.47 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.124 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -103.57 170.46 7.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.229 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -90.82 153.35 20.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.536 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -79.23 64.71 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 -176.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.1 p -80.73 -15.67 55.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.303 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -77.35 -24.25 50.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.913 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.7 t30 59.35 32.96 22.25 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.049 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -149.65 117.55 6.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.681 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.15 77.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.078 -174.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.633 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 66.1 m -62.55 -46.92 86.16 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.741 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -76.15 -28.74 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.034 0.445 . . . . 0.0 110.273 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -66.71 -56.24 11.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.62 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.91 -36.84 84.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.306 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 79.7 t80 -65.32 -35.3 80.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.251 -177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 103' ' ' ARG . 38.3 ttp180 -74.58 -32.51 62.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.3 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.99 -44.66 97.05 Favored Glycine 0 C--N 1.329 0.185 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.239 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -68.03 -48.21 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.41 -0.395 . . . . 0.0 110.604 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -56.4 -50.1 72.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.386 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -56.48 -45.01 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -74.9 -45.92 39.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.093 -174.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -67.69 -16.8 64.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.874 0.369 . . . . 0.0 111.274 -178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.25 -30.04 70.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.809 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -121.62 -24.91 5.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.1 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.413 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.5 m-20 -134.36 60.46 1.7 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.847 0.356 . . . . 0.0 111.591 -172.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.2 tp -85.6 -31.07 22.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.863 0.363 . . . . 0.0 110.713 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -63.85 -33.2 75.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.652 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.6 tp -68.51 -36.58 79.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.156 0.503 . . . . 0.0 109.993 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 112' ' ' ASN . 60.8 mt -64.5 -44.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.48 76.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.795 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.4 -33.34 48.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.202 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 90.2 p -64.0 -32.66 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -176.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 34.9 pt -91.09 0.15 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.109 0.481 . . . . 0.0 110.754 178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -90.76 121.97 33.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -133.56 127.7 33.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.984 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.193 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.641 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tpt . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.633 0.254 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.44 131.86 54.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.73 0.3 . . . . 0.0 110.703 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -86.85 97.92 10.92 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.482 0.658 . . . . 0.0 109.611 171.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.6 109.28 3.84 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.55 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.13 149.58 13.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p -76.97 102.2 6.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 176.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.405 HG22 ' HB3' ' A' ' 122' ' ' LYS . 82.7 p -75.17 173.59 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.293 -176.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.4 m -53.01 -47.39 68.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.663 176.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -56.24 -50.53 71.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.614 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -60.01 -41.16 91.52 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.133 0.492 . . . . 0.0 109.839 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 60.1 tp -63.93 -38.76 92.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.025 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.18 -33.12 74.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.916 0.389 . . . . 0.0 110.355 -178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.626 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 79.7 ttt180 -61.76 -60.66 3.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.411 177.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -60.35 -37.55 81.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.539 -177.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.492 HH11 ' C1 ' ' A' ' 201' ' ' ACD . 0.8 OUTLIER -64.09 -40.7 96.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.181 -177.198 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 m -68.58 -43.06 77.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.787 -0.188 . . . . 0.0 111.1 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 27.6 mm-40 -54.98 -49.78 70.61 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.0 m -64.88 -37.26 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.317 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.9 -54.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.874 0.368 . . . . 0.0 110.866 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 t -69.22 -18.36 63.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.611 -176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 m -88.95 -47.9 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 122.286 -0.258 . . . . 0.0 111.042 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.52 10.9 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.639 0.237 . . . . 0.0 111.639 -175.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m120 55.97 38.12 29.61 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.2 mm -70.66 120.57 79.77 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.12 140.14 93.7 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.685 2.257 . . . . 0.0 111.999 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.72 -31.57 62.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.565 -177.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.4 m-20 -53.12 -51.02 63.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.224 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 29.6 m-85 -60.33 -40.25 89.98 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.094 177.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.99 -45.89 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.482 -177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.7 mt-10 -61.06 -37.16 81.68 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.976 0.417 . . . . 0.0 110.309 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 92.7 mttt -64.42 -43.35 94.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.795 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 16.3 m-85 -60.04 -32.69 71.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -66.84 -22.61 65.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.254 0.549 . . . . 0.0 110.316 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -100.95 17.32 22.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.964 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 95.4 m95 54.1 39.85 31.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.799 -177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -113.0 109.6 19.12 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.045 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -115.72 90.81 27.94 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.135 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -54.74 140.03 77.29 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.333 2.022 . . . . 0.0 112.136 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.28 85.77 1.43 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.185 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.3 t70 -150.68 145.18 25.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.703 -177.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.54 -35.39 53.42 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.408 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -59.84 -51.68 68.67 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.063 0.459 . . . . 0.0 110.729 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.422 HG23 ' CE2' ' A' ' 32' ' ' PHE . 21.3 m -61.72 -33.05 73.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.837 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.629 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 63.0 mtt -69.94 -49.79 48.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.5 -174.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 88.0 m -64.45 -30.43 71.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.746 0.307 . . . . 0.0 110.289 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -61.18 -51.29 69.64 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.492 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.1 mm -59.16 -37.77 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.828 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.63 -50.21 73.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.46 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -59.37 -47.65 84.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.407 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.56 -50.38 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.0 0.429 . . . . 0.0 111.209 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.432 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-85 -65.07 -25.83 67.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.875 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -78.73 -39.52 36.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.29 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -75.33 -20.1 59.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.184 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 80.5 mtp -89.33 6.04 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.024 176.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 55.83 44.23 26.33 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.432 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD22 HD23 ' A' ' 68' ' ' LEU . 7.7 mt -122.34 -18.54 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.188 -175.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 101' ' ' ALA . 71.7 t80 -143.7 142.44 30.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.753 178.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.595 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 31.3 t70 -130.27 143.71 50.94 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.41 -12.24 60.02 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.134 0.492 . . . . 0.0 110.884 -175.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.595 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 38.8 m -97.13 -62.2 1.29 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.227 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -79.3 -18.31 52.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.692 -177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.92 -155.86 28.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.468 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -58.7 122.41 11.6 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 123.021 2.481 . . . . 0.0 111.484 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.4 mt -81.84 85.72 6.6 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 69' ' ' VAL . 94.3 t -48.1 -44.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.494 -173.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -58.9 -53.56 56.98 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.749 0.309 . . . . 0.0 111.327 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.87 -32.38 73.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.559 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.435 HD23 HD22 ' A' ' 56' ' ' LEU . 18.5 mt -62.04 -45.83 91.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.49 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 65' ' ' VAL . 69.4 t -69.77 -41.73 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -53.94 -37.97 64.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.338 177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.449 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 61.6 tp60 -86.93 -59.13 2.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.639 -176.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.464 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 96.0 mt -65.21 -46.74 79.47 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -174.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -74.76 32.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -69.45 92.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.065 0.459 . . . . 0.0 110.121 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.12 26.35 19.12 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.954 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -145.19 161.41 39.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.585 0.231 . . . . 0.0 110.421 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.87 109.69 0.77 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.839 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -45.92 80.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.408 -1.269 . . . . 0.0 112.727 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.05 -37.8 88.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.744 0.307 . . . . 0.0 111.493 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 1.8 mp0 -61.88 -49.8 74.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.333 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.08 -46.26 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.955 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -52.19 -44.7 64.84 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.751 175.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.4 m -61.86 -52.33 64.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.985 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 31.1 mt-10 -57.24 -41.85 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.298 178.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 89' ' ' VAL . 33.4 t -58.68 -49.89 81.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.071 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.29 -28.08 67.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.6 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.85 -6.82 52.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.245 0.545 . . . . 0.0 110.815 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.8 m -113.35 -11.09 13.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.293 177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 85' ' ' VAL . 99.2 t -79.58 132.93 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.952 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -152.52 174.47 13.87 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -89.8 151.76 21.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.783 0.325 . . . . 0.0 110.783 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.453 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 56.5 t30 -77.06 72.03 3.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.45 0.643 . . . . 0.0 110.795 -177.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.7 p -80.97 -14.87 57.57 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.343 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -81.87 -17.17 48.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 66.01 19.63 11.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.012 -0.994 . . . . 0.0 112.516 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.32 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 171.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.65 -28.9 70.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.849 -176.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 81.6 m -61.23 -41.93 97.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.704 0.287 . . . . 0.0 110.287 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.682 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 32.3 t-80 -77.33 -29.81 53.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.453 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 8.8 t90 -60.38 -56.89 15.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.409 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 57' ' ' PHE . . . -62.5 -37.12 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.885 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.464 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 71.7 t80 -66.34 -32.11 73.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.136 -177.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.682 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 41.2 mtm180 -67.59 -45.89 74.21 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.44 96.11 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.755 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -66.58 -46.69 75.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.863 0.363 . . . . 0.0 111.056 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -69.24 -37.11 77.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 -175.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.4 t -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.239 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.464 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 37.9 t80 -76.46 -50.2 14.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 -175.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.94 -22.77 65.89 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.39 -34.18 68.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.917 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -115.58 -30.02 6.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -129.53 64.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.425 -171.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.6 tp -86.2 -30.84 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.183 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.6 t -65.88 -35.25 80.12 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.1 -35.87 81.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.331 176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.25 -40.08 84.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.235 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.27 -46.39 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.589 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.72 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.681 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.449 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 36.7 t -59.16 -45.63 90.49 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.554 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.0 pt -86.68 0.03 6.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.119 0.485 . . . . 0.0 111.208 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -90.63 125.29 35.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.325 177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' HB3' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -147.37 93.92 2.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.458 0.647 . . . . 0.0 109.965 -178.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.301 -177.806 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.492 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.813 0.339 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -101.94 138.24 39.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.048 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.63 135.56 34.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.884 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.84 130.59 54.98 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.212 0.53 . . . . 0.0 111.274 -179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 m -101.58 149.64 6.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.942 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -73.55 92.82 1.95 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.544 -176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.4 p -80.91 -172.71 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.607 176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 13.7 m -59.61 -39.12 83.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.548 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.0 -53.99 50.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.729 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -62.38 -39.57 93.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.063 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 66.0 tp -60.5 -35.0 74.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.35 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 8' ' ' THR . 26.6 mm-40 -66.32 -35.35 80.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 0.0 110.673 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -63.29 -55.85 21.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.659 177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -63.55 -37.16 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.142 -176.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.534 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.8 OUTLIER -66.6 -38.02 86.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.766 -178.39 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.0 m -65.72 -48.39 72.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.456 174.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -50.02 50.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.97 177.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.9 m -68.54 -36.36 78.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.69 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.4 t -64.91 -49.36 80.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.975 0.417 . . . . 0.0 110.291 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -62.19 -34.77 77.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.473 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -81.4 -47.77 12.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.9 mt -83.38 8.97 12.11 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 m120 55.69 34.45 23.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.568 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.8 mm -64.56 120.37 65.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.301 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -62.29 141.98 89.62 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.606 2.204 . . . . 0.0 111.514 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.04 -31.06 60.81 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.37 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -54.18 -50.42 67.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.252 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.2 m-85 -61.52 -37.97 85.68 Favored 'General case' 0 C--O 1.227 -0.1 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.233 177.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.29 -42.57 84.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.5 mt-10 -64.08 -32.88 74.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.761 178.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.98 -51.93 54.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.445 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' CE2' HG23 ' A' ' 43' ' ' THR . 11.5 m-85 -59.09 -34.6 72.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.759 -178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -62.83 -27.01 69.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.585 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.75 11.42 38.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.673 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.4 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.7 m95 62.01 46.79 6.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.33 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -122.11 110.42 15.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.199 176.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -114.92 94.91 39.85 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.206 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -64.28 151.76 84.13 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.733 2.289 . . . . 0.0 112.59 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -77.27 87.53 3.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.017 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.6 t70 -151.17 145.78 25.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.939 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.56 -25.35 67.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.691 -173.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.6 m -63.22 -56.24 18.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.079 0.466 . . . . 0.0 110.436 176.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.465 HG23 ' CE2' ' A' ' 32' ' ' PHE . 29.7 m -56.47 -36.77 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.43 177.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.25 -49.95 62.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.686 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.96 -30.34 70.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.495 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -59.91 -49.42 77.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.275 175.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -61.04 -38.15 78.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.844 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.1 tmmm? -58.39 -56.55 20.64 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -56.4 -48.2 77.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.699 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.42 -49.13 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.268 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.5 m-30 -64.24 -28.01 69.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.803 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -77.26 -42.63 36.35 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.38 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -69.55 -29.41 66.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.773 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.7 mtp -83.52 5.79 22.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.501 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 56.35 41.06 29.52 Favored 'General case' 0 N--CA 1.458 -0.054 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.427 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.0 mt -117.08 -16.29 10.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.644 -175.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.8 t80 -145.34 137.33 25.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.455 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 32.0 t70 -124.61 146.08 49.26 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.286 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.64 -11.24 60.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.745 0.307 . . . . 0.0 111.345 -175.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.482 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 41.8 m -100.23 -65.76 0.95 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.097 176.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -74.19 -16.18 60.99 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.12 -145.8 28.67 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.098 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -64.67 119.94 7.1 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.503 2.136 . . . . 0.0 111.942 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -80.27 93.3 5.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.079 -176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 69' ' ' VAL . 72.0 t -51.54 -44.47 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.735 -1.12 . . . . 0.0 112.862 -173.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.85 -52.11 67.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.565 0.221 . . . . 0.0 111.568 -176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.51 -33.22 73.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.541 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.8 -45.5 94.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.0 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 65' ' ' VAL . 97.8 t -69.83 -41.18 79.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.958 177.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -63.86 -27.77 69.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.918 0.389 . . . . 0.0 110.889 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 74' ' ' HIS . 30.9 tp60 -90.37 -60.13 2.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.737 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.511 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 90.1 mt -62.67 -44.85 95.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -174.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.38 33.41 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.8 t-80 -74.36 82.81 1.92 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.602 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.3 29.0 6.52 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.183 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HD3' HD13 ' A' ' 115' ' ' LEU . 18.2 mtp180 -153.3 169.58 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 177.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.71 117.09 8.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.553 0.692 . . . . 0.0 110.997 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.91 77.09 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.696 -1.138 . . . . 0.0 112.494 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -67.66 -44.45 77.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.009 0.433 . . . . 0.0 110.726 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -63.18 -48.35 78.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.356 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.2 -45.47 80.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.425 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -51.43 -47.55 62.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.2 m -63.39 -48.61 77.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.132 -177.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -56.38 -43.17 78.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.236 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 89' ' ' VAL . 36.3 t -58.82 -50.0 80.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.659 0.266 . . . . 0.0 111.05 176.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.73 -29.43 66.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.727 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.52 -10.62 60.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.011 0.434 . . . . 0.0 110.896 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 42.8 m -112.29 -9.4 13.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.869 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 85' ' ' VAL . 94.4 t -79.18 106.83 10.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -106.95 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.099 0.476 . . . . 0.0 111.208 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -87.72 155.78 19.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.062 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -81.7 72.4 8.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.248 0.547 . . . . 0.0 110.73 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 47.0 p -89.09 -12.27 41.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.378 0.609 . . . . 0.0 109.998 174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' HH12 ' A' ' 103' ' ' ARG . 4.1 m-20 -75.69 -26.63 57.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.098 -178.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 61.71 27.21 16.66 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.723 -175.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -147.56 110.06 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.727 -177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.01 71.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.85 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 64.3 m -62.4 -40.4 96.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.685 0.279 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.26 -28.61 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.915 0.388 . . . . 0.0 110.29 -177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -65.34 -55.18 19.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.305 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.42 86.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.425 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 77.4 t80 -66.8 -34.35 77.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.419 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.435 HH12 ' CG ' ' A' ' 94' ' ' ASP . 38.1 ttp-105 -71.51 -35.88 70.87 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.191 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.437 ' O ' H191 ' A' ' 201' ' ' ACD . . . -63.22 -46.35 93.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.496 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -65.9 -46.76 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.915 0.388 . . . . 0.0 110.875 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -65.95 -37.0 84.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.069 -176.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.9 t -62.69 -40.73 98.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.272 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.511 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 36.4 t80 -77.18 -48.88 16.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.572 -173.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -64.81 -23.57 67.28 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-O 120.717 0.294 . . . . 0.0 111.351 -176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -64.0 -21.88 66.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.788 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -116.55 -34.88 4.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.568 178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -132.95 70.1 1.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.278 -170.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.1 tp -88.68 -33.04 17.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.834 0.35 . . . . 0.0 111.273 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.6 t -62.86 -35.51 80.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.009 0.433 . . . . 0.0 109.902 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.462 HD13 ' HD3' ' A' ' 76' ' ' ARG . 31.5 tp -64.64 -35.83 82.29 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.32 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.0 mt -65.77 -41.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.071 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.4 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.4 mttt -67.31 -36.38 81.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.714 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.42 -21.67 45.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.394 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.2 p -70.84 -30.94 67.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.999 0.428 . . . . 0.0 110.904 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.5 pt -97.74 -6.31 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.958 179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 122' ' ' LYS . 38.9 ttpt -91.1 119.06 30.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.283 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 121' ' ' LYS . 34.2 tttt 69.93 140.41 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.799 0.687 . . . . 0.0 111.164 -177.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.318 -0.763 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 176.288 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.534 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 120.563 0.22 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.94 133.6 40.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.106 0.479 . . . . 0.0 111.483 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.71 128.84 34.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.287 174.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.76 118.56 34.59 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.037 0.446 . . . . 0.0 110.137 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.16 142.22 14.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.27 -178.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p -79.37 97.17 6.23 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.932 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.507 HG22 ' OD2' ' A' ' 10' ' ' ASP . 11.7 t -79.64 -177.42 5.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.3 m -51.5 -51.68 53.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.67 -47.52 84.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.507 ' OD2' HG22 ' A' ' 7' ' ' THR . 9.0 m-20 -58.61 -41.36 85.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.12 -41.91 99.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.948 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -69.11 -29.49 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.178 0.513 . . . . 0.0 110.39 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.4 ttm180 -64.71 -50.89 65.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.632 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -63.95 -34.1 77.22 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.937 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.99 -46.62 61.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.77 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.4 m -61.96 -47.8 83.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.666 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -61.66 -31.3 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.495 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -82.8 -35.32 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.15 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -66.5 -53.83 31.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.892 -178.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -68.87 -17.32 63.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.328 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.1 t -90.75 -47.85 7.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.045 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -84.28 11.3 8.55 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 56.91 40.18 29.02 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.268 0.556 . . . . 0.0 110.934 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.7 mm -74.36 120.2 80.25 Favored Pre-proline 0 N--CA 1.452 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.179 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.53 141.68 95.98 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.811 2.341 . . . . 0.0 111.708 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.65 -34.26 61.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.631 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -57.79 -46.48 84.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -60.58 -38.4 84.49 Favored 'General case' 0 N--CA 1.457 -0.101 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.351 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -58.72 -41.64 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.276 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 13.3 mt-10 -67.46 -30.28 69.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.908 179.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -63.68 -49.17 74.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.283 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.2 -34.64 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.363 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -62.42 -33.7 75.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 0.0 110.12 176.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -89.88 17.63 6.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.194 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.458 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 96.5 m95 55.24 38.69 30.77 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.166 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -113.81 110.51 20.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.251 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -116.7 90.69 32.34 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.526 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.31 143.69 85.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.338 2.026 . . . . 0.0 112.402 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.06 78.32 3.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.815 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.7 t70 -144.18 148.88 35.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.45 -174.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -50.18 -42.55 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.226 0.329 . . . . 0.0 111.721 -176.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 m -53.37 -57.23 11.33 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.307 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 32.5 m -60.06 -34.66 73.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.394 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.599 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.6 mtt -64.72 -52.15 58.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.435 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -65.86 -29.99 70.53 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.673 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.579 ' O ' HG13 ' A' ' 50' ' ' VAL . 36.8 t80 -60.46 -51.63 68.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.804 0.335 . . . . 0.0 110.15 176.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.3 mm -57.74 -42.89 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.821 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -62.61 -45.75 91.44 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.42 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 t -60.36 -47.85 84.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.989 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 46' ' ' TYR . 0.9 OUTLIER -71.76 -27.62 28.42 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.0 -177.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.0 m-30 -68.37 -27.02 65.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.303 0.573 . . . . 0.0 109.997 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -75.36 -43.14 52.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.681 172.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -62.71 -32.64 73.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.612 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.7 mtp -91.71 0.19 57.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.471 -175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 58.49 48.68 11.71 Favored 'General case' 0 C--N 1.337 0.062 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.338 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mt -123.94 -13.78 7.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.55 -174.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.556 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 82.6 t80 -139.89 141.9 36.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 24.1 t70 -123.89 147.2 47.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.96 0.41 . . . . 0.0 110.379 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -65.2 -21.3 66.74 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.4 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.402 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 38.2 m -103.57 -66.08 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.649 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -69.83 -13.4 62.25 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.73 -145.84 30.53 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.117 -1.039 . . . . 0.0 111.842 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.29 121.9 10.5 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.681 2.254 . . . . 0.0 111.672 176.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.11 89.0 6.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.875 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 69' ' ' VAL . 84.1 t -50.43 -44.36 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 114.933 -1.031 . . . . 0.0 112.736 -173.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -60.47 -52.03 66.95 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -64.74 -34.27 77.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.017 0.437 . . . . 0.0 110.323 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' CD2' H161 ' A' ' 201' ' ' ACD . 18.3 mt -61.16 -47.37 86.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.269 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -66.86 -42.93 89.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -59.81 -30.41 68.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.213 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.987 0.422 . . . . 0.0 110.715 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.2 mt -62.28 -43.99 97.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.475 -174.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.22 32.84 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 72' ' ' LEU . 35.1 t-80 -72.64 88.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.745 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.56 20.34 15.35 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.257 -178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HD3' HD13 ' A' ' 115' ' ' LEU . 12.3 mtp180 -146.96 169.59 18.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.292 0.568 . . . . 0.0 111.886 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.5 m-20 -65.27 109.56 2.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.159 178.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.85 90.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.671 -175.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.35 -33.2 74.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.176 0.512 . . . . 0.0 110.658 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 2.5 mp0 -71.11 -45.92 62.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.071 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 77' ' ' ASP . 69.9 t -55.58 -45.25 78.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.363 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -52.14 -43.71 64.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.176 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.6 m -65.39 -50.27 66.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.062 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 30.3 mt-10 -56.97 -43.66 81.85 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.208 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.1 t -58.38 -48.97 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.127 0 CA-C-O 120.68 0.276 . . . . 0.0 111.434 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.81 -28.58 66.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.786 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -75.48 -9.58 58.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.22 0.533 . . . . 0.0 110.889 179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.3 m -111.7 -11.7 13.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.719 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 77.5 t -69.74 105.7 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.672 174.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.24 175.52 5.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.657 -176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -101.26 151.51 21.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.69 0.281 . . . . 0.0 110.985 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -74.17 70.37 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.503 0.668 . . . . 0.0 110.721 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.5 p -81.59 -20.52 39.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.595 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.44 -9.03 57.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.297 0.57 . . . . 0.0 110.664 -178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.17 37.27 20.85 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.917 178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -152.43 120.17 6.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.906 -176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.5 -32.84 74.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.01 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.9 m -60.58 -40.52 92.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.883 0.373 . . . . 0.0 110.405 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -82.41 -28.44 31.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.086 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -66.08 -52.87 44.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.138 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.52 -37.38 84.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.481 ' CD2' ' HG2' ' A' ' 44' ' ' MET . 75.6 t80 -66.71 -34.52 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.865 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -66.27 -39.89 89.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.207 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.58 81.08 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.79 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -63.05 -48.07 80.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.727 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.2 tttm -62.73 -39.99 95.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.09 -175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.4 t -62.87 -43.41 98.86 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.198 0.523 . . . . 0.0 110.877 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.528 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 22.6 t80 -74.8 -42.1 58.73 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.006 -172.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -7.06 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 111.308 178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -86.65 -20.01 28.44 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.353 178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -128.99 -16.19 4.13 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.01 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.529 ' O ' HG13 ' A' ' 116' ' ' ILE . 14.4 m-80 -147.35 68.07 1.14 Allowed 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.373 0.269 . . . . 0.0 110.971 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 55.3 tp -83.39 -36.14 24.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.08 0.467 . . . . 0.0 110.767 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 m -62.66 -35.94 81.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.14 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.463 HD13 ' HD3' ' A' ' 76' ' ' ARG . 49.1 tp -66.36 -35.14 79.58 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.394 177.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 112' ' ' ASN . 59.5 mt -66.3 -42.61 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.121 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.458 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 98.7 mttt -64.34 -40.72 96.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.592 178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.89 -20.02 58.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.32 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.449 ' HA ' ' HB3' ' A' ' 74' ' ' HIS . 82.6 p -71.35 -34.73 70.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.7 pt -96.93 -10.94 8.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 117' ' ' LYS . 16.8 tptm -91.08 126.18 36.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.309 -177.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -112.95 68.94 0.68 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.646 0.736 . . . . 0.0 110.095 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.072 -175.593 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.428 H161 H131 ' A' ' 201' ' ' ACD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.8 mtt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.972 0.415 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -137.9 122.69 18.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.656 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -64.89 121.75 15.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.498 175.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.13 121.67 40.34 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.274 0.559 . . . . 0.0 110.747 -176.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -97.0 158.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.15 177.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -91.93 95.19 9.68 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.126 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.2 p -75.12 -174.72 2.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.061 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.536 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 11.5 m -59.52 -43.14 93.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.097 -176.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.33 -46.65 87.74 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -60.87 -39.82 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.077 0.465 . . . . 0.0 110.212 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 67.4 tp -64.16 -41.12 97.29 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.171 -178.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 8' ' ' THR . 22.1 mt-30 -67.4 -22.72 65.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.278 0.561 . . . . 0.0 110.116 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.611 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 31.7 ttm180 -70.92 -62.48 1.38 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.69 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -59.06 -38.42 79.36 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.573 -177.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.497 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -64.46 -36.82 85.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.591 -175.453 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -69.53 -42.33 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.682 0.277 . . . . 0.0 110.577 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.1 mm-40 -56.61 -50.65 71.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.131 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -64.43 -37.27 86.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.62 -53.04 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 120.896 0.379 . . . . 0.0 110.714 177.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.8 t -64.18 -36.99 85.87 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.289 -177.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -75.63 -48.09 23.66 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.54 10.85 8.06 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -173.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.76 38.61 27.44 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.361 0.601 . . . . 0.0 111.063 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.4 mm -73.17 122.34 87.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.209 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -63.03 143.55 91.07 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.822 2.348 . . . . 0.0 112.11 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -27.57 63.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.339 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -55.75 -52.57 63.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.9 175.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -61.2 -40.5 94.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.242 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.3 -40.93 82.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.083 0.468 . . . . 0.0 110.819 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -38.22 85.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.365 177.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.72 -48.09 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.477 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' CE1' HG23 ' A' ' 43' ' ' THR . 13.6 m-85 -57.63 -24.25 55.49 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.264 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -64.77 -31.06 72.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.431 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -107.88 30.7 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.611 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 85.7 m95 51.55 41.04 28.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.33 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -105.42 109.19 21.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.971 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -115.97 91.67 32.12 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.5 -179.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.66 140.67 94.24 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.453 2.102 . . . . 0.0 112.074 176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.59 89.45 3.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.69 0.757 . . . . 0.0 109.814 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 44' ' ' MET . 11.3 t70 -155.6 145.22 21.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.018 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.55 -29.98 39.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.243 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 m -58.04 -59.16 5.7 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.461 ' O ' HG12 ' A' ' 47' ' ' ILE . 19.1 m -57.72 -34.57 69.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.975 178.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -68.16 -51.18 48.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.769 -174.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.525 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 72.9 m -64.91 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.082 0.468 . . . . 0.0 110.246 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -63.87 -47.51 80.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.57 176.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 43' ' ' THR . 28.1 mm -59.34 -41.79 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.789 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.566 ' HD3' ' SG ' ' A' ' 98' ' ' CYS . 0.4 OUTLIER -66.0 -43.96 86.2 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.673 -178.512 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.96 -44.09 82.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.874 0.368 . . . . 0.0 111.073 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.11 -49.09 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 121.203 0.525 . . . . 0.0 110.699 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -65.18 -22.99 66.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.854 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -76.78 -44.12 34.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.177 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -72.81 -24.77 60.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.05 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.2 mtp -86.99 4.94 39.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.028 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 56.2 50.49 13.36 Favored 'General case' 0 C--N 1.338 0.082 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.297 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 71' ' ' GLN . 6.8 mt -126.56 -20.49 4.34 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.777 -174.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -138.11 139.35 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -121.57 141.43 51.08 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.524 178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.21 -23.6 67.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.545 -175.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.4 m -95.93 -64.26 1.07 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.644 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -73.76 -16.31 61.17 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.64 -146.06 26.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.196 -1.002 . . . . 0.0 112.204 -176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -58.58 124.88 16.79 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.872 2.381 . . . . 0.0 111.934 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.7 mt -87.8 95.36 10.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.106 0.479 . . . . 0.0 109.925 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 77.3 t -51.71 -46.61 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 114.838 -1.074 . . . . 0.0 113.136 -172.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.86 -52.25 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.686 0.279 . . . . 0.0 111.301 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.487 ' O ' ' HB2' ' A' ' 71' ' ' GLN . 4.7 m-20 -62.93 -33.22 74.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.713 0.292 . . . . 0.0 110.324 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' CD2' H161 ' A' ' 201' ' ' ACD . 18.1 mt -62.41 -44.69 95.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.167 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 65' ' ' VAL . 74.7 t -68.31 -47.19 79.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -66.24 -17.74 64.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 111.388 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 67' ' ' ASN . 3.4 tp-100 -90.48 -60.44 1.92 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.268 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' C ' ' H ' ' A' ' 74' ' ' HIS . 98.7 mt -69.08 -40.04 78.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.911 -173.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.75 33.2 0.07 Allowed 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.446 ' H ' ' C ' ' A' ' 72' ' ' LEU . 34.9 t-80 -72.11 87.03 1.06 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.923 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.58 26.87 12.41 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.782 -0.644 . . . . 0.0 112.502 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.496 ' HD2' HD13 ' A' ' 115' ' ' LEU . 24.7 mtt180 -149.01 168.43 23.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 0.0 111.242 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' HG23 ' A' ' 81' ' ' VAL . 32.4 m-20 -61.48 105.84 0.57 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.101 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -33.65 67.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.122 -0.945 . . . . 0.0 111.974 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -64.56 -44.23 91.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.189 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.89 -42.78 94.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.101 0.477 . . . . 0.0 109.879 176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 77' ' ' ASP . 95.7 t -57.72 -47.43 85.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.445 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 82' ' ' ARG . 20.3 ttt180 -57.82 -45.21 86.48 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.73 0.3 . . . . 0.0 110.488 176.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 m -58.89 -52.76 64.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.106 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -57.26 -42.32 81.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.767 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.504 ' O ' HG23 ' A' ' 89' ' ' VAL . 37.9 t -59.67 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.046 176.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.6 -31.23 67.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.456 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -73.0 -6.61 46.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.044 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.8 m -113.17 -13.91 12.95 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 85' ' ' VAL . 57.2 t -85.13 131.22 34.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.598 -0.273 . . . . 0.0 110.711 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -160.15 -178.19 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.579 174.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 4.6 mtpm? -71.46 152.34 43.15 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 112.563 -171.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.522 ' HB3' ' CD2' ' A' ' 100' ' ' TRP . 0.9 OUTLIER -76.41 64.23 2.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.639 179.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.0 p -64.74 -24.01 67.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.599 -176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.74 -9.14 59.83 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.891 0.377 . . . . 0.0 110.69 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 56.39 23.78 7.71 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.435 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -133.67 117.75 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -176.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.03 77.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.343 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.566 ' SG ' ' HD3' ' A' ' 48' ' ' LYS . 86.3 m -63.55 -43.33 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -78.24 -26.92 47.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 92' ' ' ASN . 12.4 t90 -68.76 -52.73 27.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.441 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.562 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 81.1 t80 -65.56 -33.93 77.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.789 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -63.79 -46.17 86.39 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.346 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.459 ' O ' H191 ' A' ' 201' ' ' ACD . . . -60.39 -44.08 97.99 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.755 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -68.21 -46.7 69.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.825 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -64.25 -41.09 97.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.137 -176.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.1 t -62.96 -43.14 99.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 178.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -75.39 -47.71 26.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.114 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -67.83 -11.13 57.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.477 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.23 -34.21 76.98 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.221 -178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -127.98 -15.45 4.8 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.271 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -128.19 55.44 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.737 0.304 . . . . 0.0 111.28 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.2 tp -83.0 -32.98 26.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.972 0.415 . . . . 0.0 110.661 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.6 t -60.36 -36.5 78.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.496 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.496 HD13 ' HD2' ' A' ' 76' ' ' ARG . 46.3 tp -65.98 -35.05 79.53 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.317 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.4 mt -67.58 -37.81 79.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.322 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.76 -36.43 78.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.845 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.08 -30.24 62.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.405 178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 34.6 t -56.48 -47.4 79.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.314 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.4 pt -90.95 3.11 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.789 -176.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -88.49 120.5 29.93 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 -177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -75.09 95.54 3.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 172.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.502 -174.391 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.459 H191 ' O ' ' A' ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptt? . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 120.82 0.343 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -80.35 114.59 19.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -62.05 104.12 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.318 0.58 . . . . 0.0 110.25 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.68 113.99 26.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.51 -177.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 m -75.68 149.34 6.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.535 ' HB3' ' SD ' ' A' ' 54' ' ' MET . 40.6 m -64.16 104.97 0.8 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.262 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -86.09 177.84 7.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.535 -175.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 0.2 OUTLIER -60.03 -41.58 92.53 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 109.888 177.593 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -54.19 -45.34 72.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.866 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.25 -40.07 78.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.225 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.0 tp -65.13 -37.43 87.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 8' ' ' THR . 35.1 mt-30 -70.65 -23.44 62.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 13' ' ' ARG . 39.6 ttm180 -75.49 -51.14 13.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.409 178.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -62.1 -30.82 71.28 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.927 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 40.1 mtt180 -52.53 -45.46 66.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.006 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -63.8 -52.41 60.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.76 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.91 -41.08 97.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 -174.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.8 m -70.45 -34.92 73.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 0.0 110.656 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.62 -53.6 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.943 0.401 . . . . 0.0 110.856 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.8 t -65.67 -39.17 91.05 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.469 -176.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -72.84 -44.06 61.86 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.553 0.216 . . . . 0.0 111.218 -176.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.0 mt -87.9 10.56 18.29 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t30 54.19 41.96 31.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.236 0.541 . . . . 0.0 110.795 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.5 mm -72.1 115.92 43.47 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.459 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -61.94 144.76 96.83 Favored 'Trans proline' 0 C--O 1.238 0.501 0 C-N-CA 122.956 2.437 . . . . 0.0 111.776 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.12 -35.26 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.431 -1.259 . . . . 0.0 112.468 -174.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.6 p30 -60.01 -38.12 81.72 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.189 0.306 . . . . 0.0 111.176 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -68.2 -39.52 82.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.653 0.264 . . . . 0.0 110.718 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.72 -44.62 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.218 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.7 mt-10 -61.97 -31.34 71.68 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' ASP . 60.5 mttp -69.64 -46.16 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.321 178.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -60.01 -35.83 75.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.957 0.408 . . . . 0.0 111.099 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -66.74 -17.71 65.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.375 178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -108.13 17.06 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.776 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 93.8 m95 56.25 44.8 24.27 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.096 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -123.08 109.97 14.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.049 0.452 . . . . 0.0 110.249 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -114.09 97.8 46.33 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.125 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.23 148.56 69.54 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.603 2.202 . . . . 0.0 112.512 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -84.25 73.65 10.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.68 0.752 . . . . 0.0 109.53 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.656 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -142.84 157.07 44.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.258 -174.021 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -56.46 -41.43 76.52 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 m -55.55 -57.39 12.11 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.066 0.46 . . . . 0.0 111.191 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.6 m -58.13 -37.29 74.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.398 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.656 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.19 -45.25 77.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.266 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 74.4 m -68.45 -27.14 65.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.078 0.466 . . . . 0.0 110.722 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.514 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 34.0 t80 -64.17 -42.68 96.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.103 174.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.9 mm -64.59 -40.74 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.923 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -62.35 -47.36 84.53 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.727 -178.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.2 -49.72 76.05 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.412 HG11 ' H32' ' A' ' 201' ' ' ACD . 46.4 t -63.74 -47.3 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-O 120.919 0.39 . . . . 0.0 111.323 -179.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.1 m-30 -64.61 -27.11 68.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.337 -177.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -76.15 -42.23 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.86 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -69.65 -25.87 64.13 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.535 ' SD ' ' HB3' ' A' ' 6' ' ' SER . 46.0 mmm -82.33 2.08 33.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.703 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 53.98 46.58 25.28 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.242 -177.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 71' ' ' GLN . 8.6 mt -127.21 -19.44 4.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.358 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.583 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 75.9 t80 -140.76 137.89 33.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.696 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD2' ' HB ' ' A' ' 60' ' ' THR . 28.7 t70 -118.56 140.97 49.05 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 175.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.67 -5.07 49.19 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.224 -173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.408 ' HB ' ' OD2' ' A' ' 58' ' ' ASP . 18.7 m -106.08 -62.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.113 174.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.24 -13.68 59.89 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.61 -156.2 31.49 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.081 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -58.37 122.86 12.39 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.109 2.54 . . . . 0.0 111.886 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 mt -84.38 88.18 7.26 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 69' ' ' VAL . 97.7 t -50.7 -46.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 114.731 -1.122 . . . . 0.0 113.152 -171.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -60.73 -50.23 74.33 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.513 -176.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -60.45 -36.29 77.88 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.192 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.428 HD23 HD22 ' A' ' 56' ' ' LEU . 16.6 mt -61.19 -38.86 88.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.401 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 65' ' ' VAL . 62.1 t -72.92 -43.72 58.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.689 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -59.68 -29.55 68.16 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.977 0.418 . . . . 0.0 111.261 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.467 ' HG2' HD11 ' A' ' 56' ' ' LEU . 46.4 tp60 -88.62 -59.06 2.33 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.196 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 93.9 mt -67.94 -46.22 72.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.62 32.52 0.08 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -173.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -73.55 97.28 2.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.986 0.422 . . . . 0.0 110.097 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.09 23.67 40.25 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.281 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -145.84 167.81 22.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 81' ' ' VAL . 24.9 t70 -63.43 113.65 3.39 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.306 0.574 . . . . 0.0 111.219 -179.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.25 -31.17 72.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.993 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.89 -43.54 75.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.119 -176.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.67 -43.9 92.11 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 77' ' ' ASP . 70.4 t -57.07 -50.36 76.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.359 178.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.71 -43.21 76.29 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.031 0.443 . . . . 0.0 110.667 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -64.14 -51.39 64.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.177 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -54.46 -41.96 70.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.357 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 89' ' ' VAL . 41.7 t -60.6 -54.94 28.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 176.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.7 mt -57.37 -31.42 65.76 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.808 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -55.42 -28.24 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.563 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 6.9 m -122.15 13.06 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 85' ' ' VAL . 71.5 t -78.11 99.31 2.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.314 0.578 . . . . 0.0 109.526 171.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -113.87 -177.68 3.19 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.864 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -100.13 163.3 12.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 -175.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.481 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 57.7 t30 -75.87 68.86 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.771 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.2 p -77.87 -15.23 59.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.717 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -91.92 -11.72 35.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.147 0.498 . . . . 0.0 110.545 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.05 24.39 12.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.516 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.406 HD21 ' HB2' ' A' ' 98' ' ' CYS . 13.8 t30 -143.95 122.64 12.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.005 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.49 -24.58 66.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.817 -175.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 63.3 m -66.02 -44.02 85.92 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.291 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.45 -30.28 53.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.443 . . . . 0.0 109.877 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.481 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.8 t90 -66.75 -54.3 24.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.7 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 -178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 66.0 t80 -67.84 -30.99 70.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.52 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -62.45 -46.52 88.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.022 0.439 . . . . 0.0 110.044 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.98 -46.19 82.94 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.127 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -65.65 -42.84 90.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.701 0.286 . . . . 0.0 110.913 -178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -62.8 -45.28 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.049 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 2.5 t -61.82 -49.84 74.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.491 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 23.4 t80 -66.93 -43.91 82.05 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.905 -171.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 1.4 pp0? -67.27 -26.61 66.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.28 -29.09 69.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -117.03 -27.9 6.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.67 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -134.78 60.58 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.949 0.404 . . . . 0.0 111.15 -174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 109' ' ' GLN . 58.4 tp -82.69 -27.23 31.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.996 0.427 . . . . 0.0 110.796 -178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -64.39 -35.92 82.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.014 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.7 tp -68.5 -33.95 75.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.502 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.1 -42.55 88.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.054 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -64.54 -42.1 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.378 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -62.91 -39.81 95.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.467 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -57.26 -48.87 77.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.338 -178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 43.6 pt -90.8 1.86 7.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.529 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -65.73 123.05 18.71 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 171.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.54 123.84 4.35 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.506 0.669 . . . . 0.0 111.663 -174.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.812 176.552 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.5 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.35 123.2 44.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 0.0 111.025 -178.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -99.95 129.57 46.04 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.719 173.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.88 121.97 46.7 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 179.446 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -78.82 139.61 18.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.412 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -89.14 103.26 15.89 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.628 -177.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 78.4 p -77.72 178.15 7.57 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 m -56.08 -40.89 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.018 0.437 . . . . 0.0 110.883 178.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.14 -33.53 74.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -80.24 -38.05 31.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.979 178.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.88 -37.95 88.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.46 -176.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -64.9 -25.77 68.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.032 0.444 . . . . 0.0 110.683 -178.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -70.38 -55.51 8.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.987 178.092 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -63.11 -34.62 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.49 -178.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.728 HH21 ' C1 ' ' A' ' 201' ' ' ACD . 3.0 ttm180 -59.77 -47.51 85.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.219 178.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.9 m -68.12 -44.3 76.46 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.177 -179.04 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -40.39 86.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.691 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.69 -35.15 65.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.79 177.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.94 -54.12 39.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 177.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -60.31 -36.43 77.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.446 -178.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 t -78.37 -48.68 15.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.337 -175.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.32 9.88 11.96 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -175.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.1 m120 56.61 38.84 29.89 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.472 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -71.42 120.36 79.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.428 178.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -59.56 140.74 95.33 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.754 2.303 . . . . 0.0 111.736 177.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.524 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.94 -32.05 65.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.565 -177.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.26 -45.21 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.358 176.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -64.67 -36.96 85.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 176.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -59.4 -43.01 89.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.389 -179.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 16.3 mt-10 -62.7 -29.28 70.55 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 178.269 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.525 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.2 mttm -68.69 -52.28 32.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 175.297 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.406 ' CE1' HG23 ' A' ' 43' ' ' THR . 12.2 m-85 -57.0 -42.01 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.119 -177.298 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -65.18 -17.79 64.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.02 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 9.4 ptmt -109.22 15.88 22.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.399 0.619 . . . . 0.0 109.835 178.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 98.9 m95 64.49 43.88 4.31 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.066 -0.97 . . . . 0.0 112.209 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -122.84 114.08 20.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.83 177.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -120.9 92.12 48.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.038 -179.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -59.83 152.97 59.94 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.76 2.306 . . . . 0.0 112.736 178.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -74.31 84.39 1.92 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.998 176.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.663 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.2 OUTLIER -148.95 136.52 20.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.178 -172.632 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.06 -30.36 70.94 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.317 -173.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.607 ' HB ' ' OD2' ' A' ' 40' ' ' ASP . 89.2 m -61.91 -53.4 56.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.005 0.431 . . . . 0.0 110.366 173.594 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.406 HG23 ' CE1' ' A' ' 32' ' ' PHE . 58.7 m -55.38 -35.83 65.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.267 176.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.663 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.0 mtt -67.24 -48.72 66.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.58 -175.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 90.6 m -66.21 -28.6 68.87 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.477 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.73 -50.72 71.29 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.286 175.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.4 mm -58.72 -39.2 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.66 177.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -58.41 -54.57 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.545 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.6 t -58.35 -46.46 86.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.722 -179.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.5 t -61.94 -46.83 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-O 121.122 0.486 . . . . 0.0 110.861 -178.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.69 -23.3 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.994 -179.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -79.63 -43.82 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.276 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -70.47 -25.03 62.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.604 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 87.5 mtp -88.25 5.32 42.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.448 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 57.19 46.31 19.06 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.182 -178.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 56' ' ' LEU . 9.2 mt -123.19 -14.69 7.45 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.991 0.424 . . . . 0.0 111.588 -173.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -140.71 136.69 32.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.082 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -118.81 138.98 52.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.232 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -64.17 -20.03 65.73 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -174.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -99.44 -63.87 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.826 0.346 . . . . 0.0 111.694 179.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -74.49 -13.62 60.71 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -175.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.44 -146.69 26.3 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.058 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.22 122.08 11.18 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.037 2.491 . . . . 0.0 111.848 176.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 mt -83.07 92.27 7.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.089 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.1 t -50.71 -44.82 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 114.547 -1.206 . . . . 0.0 112.753 -174.565 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.33 -54.33 48.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.687 0.279 . . . . 0.0 111.194 -177.115 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -63.6 -33.65 76.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.469 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.236 178.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 65' ' ' VAL . 66.2 t -67.92 -43.34 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.546 176.646 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -58.26 -32.32 68.26 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.491 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.459 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 52.8 tp60 -87.15 -60.07 2.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.236 -178.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 74' ' ' HIS . 87.6 mt -65.85 -42.87 89.93 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.657 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.65 32.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -177.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 72' ' ' LEU . 54.2 t-80 -68.94 89.5 0.41 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.888 179.544 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.9 27.98 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.351 -178.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.4 mtt180 -146.38 164.49 32.27 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.88 -0.188 . . . . 0.0 110.781 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -60.9 105.95 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.684 0.615 . . . . 0.0 111.334 -177.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.54 83.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.469 -175.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -63.06 -37.9 89.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.043 0.449 . . . . 0.0 110.893 -177.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.72 -46.53 68.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.004 176.209 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 81.1 t -56.06 -48.22 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.33 178.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -52.04 -43.93 64.0 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 121.139 0.495 . . . . 0.0 110.794 176.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -67.95 -53.36 26.84 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.525 -176.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -56.27 -38.53 71.3 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.49 179.162 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.9 t -61.01 -50.96 78.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.014 175.427 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.5 mt -57.57 -31.67 66.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.873 -178.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -69.29 -17.51 63.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.015 0.436 . . . . 0.0 110.943 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 13.0 m -106.31 -8.48 17.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 85' ' ' VAL . 97.0 t -73.93 99.7 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 174.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -105.01 170.41 7.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.184 -175.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -86.68 151.26 23.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.791 -177.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -84.17 65.51 8.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.497 0.665 . . . . 0.0 110.038 -179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.7 p -74.42 -30.26 61.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.854 -178.371 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -86.1 -6.21 59.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.056 0.455 . . . . 0.0 110.743 -177.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 58.92 33.61 23.14 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.64 172.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -129.68 112.14 13.37 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 176.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.19 72.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.182 -0.463 . . . . 0.0 112.118 -172.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 84.1 m -63.78 -43.16 97.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.747 0.308 . . . . 0.0 110.39 176.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -78.76 -25.59 44.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.692 0.282 . . . . 0.0 110.432 -177.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -65.78 -53.08 45.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.972 177.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.66 83.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.245 177.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.413 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 73.4 t80 -69.28 -31.42 69.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.759 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -69.24 -40.44 77.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.248 -178.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.409 ' O ' H191 ' A' ' 201' ' ' ACD . . . -65.99 -45.96 84.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.752 178.053 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -64.52 -44.79 89.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.848 0.356 . . . . 0.0 110.937 -179.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -66.27 -39.18 89.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.244 -175.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.5 t -62.03 -41.91 98.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 177.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -75.65 -48.17 23.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.407 -171.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -67.12 -18.86 65.49 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.712 0.292 . . . . 0.0 111.153 -177.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.64 -33.84 75.85 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.107 0.48 . . . . 0.0 110.594 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -114.93 -29.9 6.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.153 -175.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -133.15 65.05 1.6 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.342 -171.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.3 tp -83.9 -25.71 29.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 110.2 179.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.7 m -63.62 -39.18 93.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.597 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 47.2 tp -66.1 -35.92 81.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.392 179.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 54.7 mt -67.04 -41.13 86.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.24 -179.513 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.28 -45.91 89.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.954 178.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.23 -29.76 65.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.585 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.459 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 46.8 t -56.1 -43.11 77.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.981 -179.343 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.2 pt -92.4 1.83 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.923 0.392 . . . . 0.0 111.414 -177.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -90.57 117.32 29.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.663 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.8 tptt 67.58 141.69 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.977 0.894 . . . . 0.0 112.323 178.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.251 1.134 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.941 175.039 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.728 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mmm . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.553 0.216 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -84.95 109.25 18.03 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.213 0.53 . . . . 0.0 110.931 -177.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -69.41 111.7 5.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.657 176.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.96 118.58 37.2 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.184 179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.27 142.94 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 p -76.28 102.31 5.81 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.052 -177.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.9 p -77.57 179.43 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.584 177.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 m -54.74 -41.7 70.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 177.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.6 -43.17 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.287 -178.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -63.73 -41.88 97.99 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 178.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.708 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 62.7 tp -58.63 -45.89 88.27 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.765 -178.562 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.53 -31.08 71.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.17 0.509 . . . . 0.0 110.719 -176.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -64.44 -49.3 72.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.501 177.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -65.94 -36.2 82.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.1 -177.16 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 29.8 mtm180 -64.83 -35.3 80.68 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.737 -0.21 . . . . 0.0 110.463 -179.58 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.2 m -64.91 -44.22 90.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 0.0 110.731 -178.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -45.2 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.79 177.292 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.1 m -64.02 -34.05 77.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.882 178.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.7 t -64.73 -51.62 64.94 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 179.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 t -64.04 -40.26 95.92 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.444 -179.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.5 m -71.26 -44.63 64.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.653 -175.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.13 9.9 26.49 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -176.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.9 m120 53.54 39.7 30.4 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.894 179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.5 mm -66.43 118.14 50.73 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.684 179.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -61.6 147.83 94.45 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.173 2.582 . . . . 0.0 112.187 179.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.84 -26.74 48.15 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.963 -178.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -55.73 -57.55 11.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.774 174.618 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -63.23 -39.95 96.06 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.609 -179.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.88 -42.0 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.243 0.544 . . . . 0.0 110.693 178.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -33.43 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.519 178.617 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 67.9 mttm -65.59 -42.98 91.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.207 175.015 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -68.85 -11.31 60.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.22 0.533 . . . . 0.0 110.863 -178.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -78.36 -23.09 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.811 174.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 16.1 ptmt -109.49 9.02 25.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.314 -179.201 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.5 m95 57.08 54.07 7.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.73 -175.058 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' O ' ' HD3' ' A' ' 38' ' ' PRO . 36.0 tt0 -119.68 110.78 17.23 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.18 91.19 22.36 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.498 -176.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 36' ' ' GLU . 26.3 Cg_exo -65.24 151.91 83.85 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.798 2.332 . . . . 0.0 112.591 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -75.46 91.66 2.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.764 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.0 t70 -156.01 142.36 18.44 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -178.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -60.15 -25.28 65.4 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.426 -175.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.3 m -59.45 -56.62 19.71 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.967 0.413 . . . . 0.0 110.486 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.4 m -60.03 -34.74 73.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.158 178.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.5 mtt -67.19 -51.59 51.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.531 -174.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 96.1 m -65.81 -29.1 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.703 0.287 . . . . 0.0 110.603 178.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.433 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 29.0 t80 -60.86 -50.82 71.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 175.683 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mm -59.47 -40.64 82.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.823 178.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -61.52 -48.59 80.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.222 -178.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.8 t -57.91 -49.52 76.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.373 178.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 78.8 t -61.96 -47.2 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.367 0.603 . . . . 0.0 111.158 -177.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.9 m-30 -67.38 -27.11 66.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.993 -178.11 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -80.06 -39.31 30.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.564 -177.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -71.76 -30.83 66.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 -178.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 50.0 mtm -82.24 4.84 21.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 175.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 53.91 48.54 21.02 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.596 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.433 HD22 HD23 ' A' ' 68' ' ' LEU . 6.9 mt -117.85 -17.12 9.87 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.533 -177.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 101' ' ' ALA . 74.5 t80 -141.91 141.23 32.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.768 178.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 25.4 t70 -127.9 146.67 50.55 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.356 177.402 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.67 -9.81 59.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.211 -0.306 . . . . 0.0 111.34 -176.264 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.537 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 23.2 m -96.49 -64.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.124 176.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -78.54 -18.66 54.36 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.744 0.307 . . . . 0.0 111.646 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.22 -144.62 20.92 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.988 -175.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -65.38 123.51 11.58 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.295 1.997 . . . . 0.0 111.616 -179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.7 mt -81.63 88.84 6.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.669 -177.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.9 t -49.75 -44.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.517 -174.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -58.13 -51.44 69.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.756 -177.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -68.27 -35.37 77.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.861 0.362 . . . . 0.0 110.516 178.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.433 HD23 HD22 ' A' ' 56' ' ' LEU . 19.0 mt -58.78 -49.85 76.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.362 -179.754 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.0 t -67.72 -37.25 78.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 177.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -61.95 -31.51 71.84 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.087 0.47 . . . . 0.0 110.635 -179.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -89.34 -57.16 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.942 -177.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -64.38 -44.2 92.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.53 -174.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.84 32.94 0.12 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -175.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -68.86 99.71 1.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.35 29.74 55.48 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.172 -179.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -147.07 160.76 42.02 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -65.22 106.97 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.378 0.609 . . . . 0.0 111.751 -175.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.03 -32.58 64.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.592 -1.185 . . . . 0.0 112.065 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -59.21 -47.91 83.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.239 179.308 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 39.8 mt-10 -67.56 -45.89 74.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.308 178.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.68 -48.77 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.51 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.2 ttt180 -58.17 -42.84 86.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.03 0.443 . . . . 0.0 110.579 177.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.0 m -61.61 -53.92 49.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.081 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 27.3 mt-10 -60.97 -36.17 78.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.049 -179.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.7 t -61.54 -50.65 79.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 120.643 0.259 . . . . 0.0 110.867 173.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.96 -31.53 66.96 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.813 -177.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -69.4 -14.45 62.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.141 0.496 . . . . 0.0 110.916 179.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.4 m -108.85 -5.95 16.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.814 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 85' ' ' VAL . 93.0 t -82.66 108.44 15.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.965 0.412 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -106.55 167.07 10.1 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.322 178.267 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -87.93 157.67 18.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.924 177.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.476 ' HB2' ' CZ3' ' A' ' 100' ' ' TRP . 59.2 t30 -78.93 75.03 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.145 0.498 . . . . 0.0 111.27 -177.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 56.2 p -90.33 -18.68 25.11 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.297 174.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' CG ' HH12 ' A' ' 103' ' ' ARG . 3.9 m-20 -73.89 -31.15 62.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.205 -176.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 66.0 21.17 11.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.847 -176.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.79 117.47 13.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 174.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.37 -30.85 70.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.863 -175.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 66.3 m -64.83 -44.04 91.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.569 0.224 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -79.6 -26.79 41.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.028 0.442 . . . . 0.0 110.279 -176.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.476 ' CZ3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -68.1 -54.34 18.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.334 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.485 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -63.78 -37.66 88.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.972 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.457 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 76.7 t80 -66.18 -35.23 79.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.265 -176.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 103' ' ' ARG . 34.9 ttp180 -71.95 -34.45 69.01 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.221 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.51 70.51 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.588 176.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.41 ' CZ ' ' H5 ' ' A' ' 201' ' ' ACD . 16.8 t80 -64.39 -47.21 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.808 179.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -62.23 -40.29 95.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.017 -177.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.5 t -61.44 -45.79 92.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.97 178.313 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -74.07 -46.35 43.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.15 -173.003 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -66.23 -29.87 70.21 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -176.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.58 -18.83 65.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.22 0.533 . . . . 0.0 110.743 -177.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -118.45 -31.97 4.76 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.381 -178.576 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 116' ' ' ILE . 84.9 m-20 -134.63 57.41 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.69 -173.079 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 67.6 tp -76.34 -33.79 58.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.914 0.387 . . . . 0.0 111.051 -178.115 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -65.34 -31.13 72.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.079 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -69.36 -35.67 76.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 176.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 112' ' ' ASN . 58.9 mt -68.38 -43.47 84.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.6 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.05 -35.89 81.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.981 179.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.65 73.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.046 176.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.8 t -57.06 -44.94 83.53 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.761 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.17 0.05 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.59 -177.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -80.94 121.61 26.23 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.163 0.506 . . . . 0.0 111.103 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -155.48 125.37 6.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.658 177.072 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 23.9 t70 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.689 178.606 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.584 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.617 0.246 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -157.23 131.43 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.013 0.435 . . . . 0.0 110.609 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -109.29 124.54 51.09 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.064 176.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -100.7 134.26 43.94 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.907 179.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.92 150.11 6.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.153 177.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 p -69.75 93.68 0.75 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.396 177.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -76.19 -172.83 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.034 -179.297 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 m -50.24 -55.02 17.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.58 . . . . 0.0 112.115 179.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.69 -43.2 94.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.349 -178.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -62.28 -42.1 99.06 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.693 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 56.8 tp -60.91 -48.14 83.2 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.535 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -59.76 -34.28 72.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.359 0.599 . . . . 0.0 110.412 -178.243 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.2 ttp-105 -67.32 -40.78 85.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.725 -179.238 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -70.28 -36.56 74.47 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.204 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.693 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 42.7 mtm180 -64.27 -29.36 70.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.063 -178.713 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.0 m -60.63 -50.52 73.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.089 0.471 . . . . 0.0 110.906 177.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.67 -40.22 84.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.576 -176.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.8 m -67.34 -34.15 76.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.577 0.227 . . . . 0.0 111.181 179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -65.86 -52.25 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 110.704 179.545 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -66.09 -29.49 69.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.609 -177.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 m -83.41 -45.7 13.38 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.58 0.215 . . . . 0.0 111.58 -176.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.2 mt -84.98 11.35 9.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.63 0.252 . . . . 0.0 111.678 -177.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 54.79 38.37 30.09 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.422 179.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.0 mm -70.71 123.17 88.68 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.185 178.58 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -62.46 144.04 94.19 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.751 2.301 . . . . 0.0 111.881 178.428 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.41 -34.27 61.0 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.719 177.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -48.71 -54.45 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.449 174.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -60.83 -37.63 82.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.654 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.6 -43.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.579 -178.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.1 mt-10 -66.05 -31.1 71.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.83 0.348 . . . . 0.0 110.524 179.093 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -65.31 -48.94 71.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.731 177.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -57.92 -32.45 67.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -178.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.79 -36.49 74.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.04 0.448 . . . . 0.0 110.181 176.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -92.79 17.9 9.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.248 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 84.9 m95 51.46 43.39 29.6 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.055 -174.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -106.05 112.95 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.93 175.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -116.24 91.7 33.48 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.899 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.45 146.09 85.14 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.932 2.421 . . . . 0.0 113.079 177.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.45 81.35 8.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.971 -178.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 44' ' ' MET . 3.4 p30 -157.02 161.9 39.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.851 176.323 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -63.54 -22.83 67.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.025 -0.988 . . . . 0.0 112.502 -167.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.2 m -63.23 -59.59 4.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 178.003 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.457 ' O ' HG12 ' A' ' 47' ' ' ILE . 40.7 m -57.01 -34.65 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.013 177.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.597 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.1 mtt -66.89 -52.53 42.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.055 -174.711 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 83.8 m -65.56 -29.35 69.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.196 0.522 . . . . 0.0 110.148 179.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.546 ' OH ' ' HD2' ' A' ' 15' ' ' ARG . 25.2 t80 -61.03 -44.35 97.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.702 175.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 43' ' ' THR . 29.8 mm -61.23 -41.91 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.77 -178.455 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HB2' ' HE3' ' A' ' 48' ' ' LYS . 2.1 ptmt -69.63 -40.61 76.45 Favored 'General case' 0 C--O 1.224 -0.28 0 C-N-CA 119.06 -1.056 . . . . 0.0 111.065 -177.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 27.1 t -56.27 -46.76 79.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.749 177.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.08 -44.11 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 110.689 179.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.557 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.1 m-30 -68.17 -20.27 64.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.211 -179.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -78.52 -43.4 26.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.611 175.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt -65.91 -29.92 70.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.06 -178.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.454 ' SD ' HD13 ' A' ' 11' ' ' LEU . 97.0 mtp -89.91 -4.58 57.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.365 -178.46 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 59.38 57.39 3.38 Favored 'General case' 0 C--N 1.338 0.066 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.188 -177.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 6.5 mt -129.36 -21.05 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.838 -174.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.557 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 77.4 t80 -135.3 137.52 42.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.374 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 30.3 t70 -113.82 138.71 49.91 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 175.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -71.71 -19.61 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.12 0.486 . . . . 0.0 110.333 -173.208 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.467 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 53.3 m -91.28 -64.9 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.82 179.031 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -79.64 -13.15 59.7 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -175.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.18 -151.24 23.42 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.462 -179.168 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.35 123.54 14.03 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 123.239 2.626 . . . . 0.0 111.902 179.325 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 68.2 mt -85.63 92.45 8.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.222 0.534 . . . . 0.0 110.084 -179.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 69' ' ' VAL . 82.2 t -49.25 -44.82 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 114.423 -1.262 . . . . 0.0 112.96 -174.769 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.81 -51.56 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.672 0.273 . . . . 0.0 111.307 -176.11 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -65.47 -35.04 79.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.274 178.271 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 18.8 mt -61.16 -45.26 95.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.46 -179.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 99.5 t -68.77 -38.77 79.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.739 178.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -65.23 -28.58 69.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.075 0.464 . . . . 0.0 111.329 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 74' ' ' HIS . 50.7 tp60 -87.1 -60.09 2.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.764 -179.496 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 97.6 mt -65.49 -50.55 64.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.995 -176.407 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -79.0 26.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.519 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 71' ' ' GLN . 3.8 t60 -75.87 89.38 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 179.43 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.93 28.63 6.83 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.815 -174.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -157.21 169.04 25.67 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.002 0.521 . . . . 0.0 109.882 178.019 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -64.45 121.59 14.75 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.662 0.744 . . . . 0.0 111.109 -178.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.39 -37.83 86.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.383 -175.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.92 -43.52 79.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.461 -174.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -59.24 -50.9 72.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 175.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.55 -47.36 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.285 179.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.7 ttm-85 -54.52 -44.49 72.81 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.847 0.356 . . . . 0.0 111.089 177.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.8 m -61.34 -53.36 57.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.295 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.76 -36.02 81.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.781 -179.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 89' ' ' VAL . 24.8 t -59.96 -49.98 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 CA-C-O 120.721 0.296 . . . . 0.0 110.936 174.024 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.5 mt -58.02 -31.18 66.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.798 -178.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -75.01 -11.15 60.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.395 0.617 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 18.3 m -106.04 -8.14 17.68 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.301 177.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 85' ' ' VAL . 97.7 t -80.0 100.29 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.661 175.192 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.46 170.67 7.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.864 -179.411 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -86.03 150.55 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.102 -179.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -76.32 64.59 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.594 179.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.6 p -76.43 -18.56 58.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.142 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -73.89 -21.01 60.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.157 -179.513 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 64.08 19.54 11.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.463 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -135.62 117.6 15.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.51 75.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.333 -173.144 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 79.6 m -63.75 -40.32 96.42 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.634 178.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' A' ' 103' ' ' ARG . 49.5 t-80 -77.46 -24.89 50.18 Favored 'General case' 0 C--O 1.22 -0.449 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.289 -179.375 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -67.92 -51.73 44.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.897 0.38 . . . . 0.0 110.542 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.59 90.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.29 177.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -69.7 -27.54 65.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.484 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 99' ' ' HIS . 72.1 ttt180 -69.82 -46.12 66.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.95 -178.125 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.58 -46.34 90.39 Favored Glycine 0 C--N 1.33 0.242 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.942 178.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.64 -45.71 91.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 111.028 -179.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -67.38 -32.67 73.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.313 -175.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 110' ' ' LYS . 13.4 t -68.18 -46.45 70.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.035 0.445 . . . . 0.0 111.424 178.421 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.411 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 34.7 t80 -72.16 -44.01 63.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -173.119 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -64.42 -23.28 67.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 110.805 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 107' ' ' CYS . 23.5 tptm -61.88 -28.96 69.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -120.22 -28.68 5.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.479 -175.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -136.15 59.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -172.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 62.0 tp -78.63 -29.13 45.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.107 0.479 . . . . 0.0 110.67 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 p -61.57 -39.59 91.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 178.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 39.6 tp -67.03 -34.22 77.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.106 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 58.7 mt -64.95 -41.25 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.094 178.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.39 -39.77 74.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.088 178.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.92 -36.95 72.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.218 -178.363 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.3 p -61.39 -38.55 87.45 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -176.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 33.3 pt -87.99 -10.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 111.279 -179.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -91.46 123.23 34.72 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -146.28 109.34 4.65 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.986 0.422 . . . . 0.0 110.183 179.013 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.191 178.321 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.49 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptp . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.446 0.165 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 65.9 65.61 0.52 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.277 0.561 . . . . 0.0 111.139 178.535 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -72.17 107.21 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 173.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.15 121.22 40.73 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.628 -176.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.522 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 1.2 m -81.51 146.14 7.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.483 178.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 m -67.04 101.04 0.81 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.42 178.42 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -78.33 -174.16 3.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -58.54 -39.59 80.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.741 0.305 . . . . 0.0 111.07 -179.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.56 -45.67 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.413 179.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -63.47 -39.37 94.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 110.168 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 tp -63.03 -36.16 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.026 -178.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -69.27 -21.98 63.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.033 0.444 . . . . 0.0 110.578 -179.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 20.0 tpp180 -76.48 -53.56 7.94 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.27 -41.3 98.34 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.181 -178.179 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.547 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.6 OUTLIER -64.66 -33.23 75.44 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.84 -176.373 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 m -62.16 -51.88 66.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.823 176.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 7.4 mt-10 -65.67 -39.98 91.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.867 -176.172 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.5 m -64.16 -34.51 78.24 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 120.673 0.273 . . . . 0.0 110.75 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.23 -51.55 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-O 120.939 0.4 . . . . 0.0 110.556 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 t -66.64 -31.98 73.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.693 -178.094 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.8 m -76.83 -48.73 17.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.035 -178.259 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.4 mt -83.83 10.78 8.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.423 -176.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 54.04 34.94 20.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.526 178.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.05 117.98 41.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.489 -178.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.65 144.19 97.87 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.119 2.546 . . . . 0.0 112.188 179.382 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.24 -36.13 63.21 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.947 -176.675 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.46 -48.61 71.55 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.431 0.457 . . . . 0.0 111.128 177.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -62.76 -39.05 92.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 178.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 63.4 t -56.61 -45.75 82.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.281 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.7 mt-10 -61.71 -41.12 97.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 178.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.57 -26.78 61.85 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.61 -176.279 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.444 ' CE2' HG23 ' A' ' 43' ' ' THR . 20.2 m-85 -79.09 -19.79 50.35 Favored 'General case' 0 C--O 1.226 -0.173 0 O-C-N 122.131 -0.355 . . . . 0.0 110.358 176.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -79.17 -11.85 59.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.446 0.641 . . . . 0.0 109.609 178.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmmm -105.29 19.73 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.339 178.703 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 86.5 m95 50.33 47.88 23.16 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.001 -1.0 . . . . 0.0 112.085 -177.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -120.33 115.16 23.01 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.96 82.55 55.8 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.283 -176.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -63.87 155.55 63.31 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 123.117 2.545 . . . . 0.0 112.671 179.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -69.51 89.51 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.914 177.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.624 ' O ' ' HG3' ' A' ' 44' ' ' MET . 13.4 t70 -150.31 142.64 24.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.392 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.8 -26.29 68.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.667 -173.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -68.94 -47.8 64.8 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.467 0.651 . . . . 0.0 109.62 178.206 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.444 HG23 ' CE2' ' A' ' 32' ' ' PHE . 18.7 m -61.88 -36.35 81.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.927 178.1 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.624 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.0 mtt -66.82 -50.45 62.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.762 -174.488 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 77.0 m -66.27 -30.48 70.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.7 179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.16 -49.84 76.05 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.472 175.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -61.07 -37.14 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.836 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.488 ' C ' ' HD3' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -60.41 -55.16 36.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.135 179.687 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.7 t -54.61 -46.88 73.91 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.507 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.1 -48.58 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.171 0.51 . . . . 0.0 111.074 -178.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -65.73 -24.44 66.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.096 -177.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.34 -40.99 28.92 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.281 -179.212 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -75.85 -20.27 58.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.29 -178.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 88.5 mtp -88.17 5.81 39.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 56.71 42.47 26.8 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.117 -178.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD22 HD23 ' A' ' 68' ' ' LEU . 9.4 mt -119.99 -16.71 8.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.21 -173.637 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -144.44 137.77 27.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.946 179.108 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -127.37 146.19 50.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.559 -179.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -66.89 -24.98 66.17 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.884 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.1 m -94.36 -65.12 1.01 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.444 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.89 -15.29 61.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.034 -174.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.67 -150.31 31.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.992 -177.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.82 119.85 7.37 Favored 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.638 2.225 . . . . 0.0 111.32 176.078 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.64 88.58 5.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.117 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 69' ' ' VAL . 75.8 t -49.05 -44.82 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.445 -174.503 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -58.63 -54.03 51.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.76 0.314 . . . . 0.0 111.411 -177.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -65.86 -31.63 72.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 179.111 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.458 HD23 HD22 ' A' ' 56' ' ' LEU . 17.9 mt -63.44 -40.13 96.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.223 179.54 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 65' ' ' VAL . 88.9 t -72.05 -43.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.572 177.249 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -64.33 -22.53 66.98 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 0.0 111.056 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.571 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 53.9 tp60 -90.19 -60.92 1.8 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.124 179.518 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' C ' ' H ' ' A' ' 74' ' ' HIS . 91.8 mt -67.19 -41.88 85.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.846 -0.616 . . . . 0.0 112.595 -174.211 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -71.83 35.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 179.828 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' A' ' 72' ' ' LEU . 2.9 t-160 -64.03 82.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.355 0.662 . . . . 0.0 110.442 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.41 35.83 9.21 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.197 -179.516 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -148.88 169.68 19.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.565 0.182 . . . . 0.0 110.852 -179.418 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 81' ' ' VAL . 35.3 m-20 -59.89 102.58 0.16 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.552 0.533 . . . . 0.0 111.168 178.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.55 -38.58 78.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.701 -178.704 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -60.59 -40.32 91.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.386 -179.136 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -70.93 -43.67 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 109.889 178.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 77' ' ' ASP . 78.8 t -57.43 -46.31 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.455 178.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.3 ttt180 -53.21 -42.63 66.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 177.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.7 m -63.52 -54.32 38.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.51 -177.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -59.71 -36.75 77.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.78 -179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.4 t -60.67 -50.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.689 0.28 . . . . 0.0 111.086 174.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.35 -31.23 65.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.695 -178.033 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.54 -13.52 61.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.336 0.588 . . . . 0.0 110.753 -179.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.2 m -107.55 -4.15 18.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.281 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 85' ' ' VAL . 87.2 t -84.02 111.58 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.757 174.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.2 175.26 7.15 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.89 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -85.19 153.1 22.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.438 -178.157 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -77.68 69.3 3.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.43 -179.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 73.1 p -79.13 -19.48 51.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.141 -179.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -77.68 -19.4 55.42 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.138 0.494 . . . . 0.0 110.334 178.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.09 25.39 14.91 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.621 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -140.19 122.65 16.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.888 -178.724 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.04 77.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.599 -172.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 70.2 m -62.4 -41.19 98.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.467 178.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -77.68 -29.46 51.5 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -177.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -66.12 -51.4 58.27 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.456 -178.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.24 89.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.174 0.512 . . . . 0.0 110.583 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.417 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.6 t80 -67.95 -30.75 70.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.638 -178.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -64.35 -49.31 72.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.106 178.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.08 98.28 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.988 -179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.17 -46.55 80.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.755 0.312 . . . . 0.0 111.03 -178.269 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -66.45 -41.51 88.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.976 -176.134 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.57 -44.35 89.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.213 -179.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 26.2 t80 -75.88 -46.5 29.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.143 -173.483 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.82 -24.41 67.54 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.928 0.394 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.57 -31.44 70.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.806 -179.033 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -115.0 -30.4 6.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.343 -177.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -135.15 61.33 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -171.522 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 61.3 tp -76.69 -29.61 56.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.089 0.471 . . . . 0.0 110.248 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.6 t -59.4 -39.99 85.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.774 179.013 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 37.9 tp -69.3 -31.42 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.218 -178.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.02 -42.38 82.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.015 178.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -63.8 -42.66 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.8 177.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.02 -29.25 65.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.355 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.571 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 47.5 t -56.72 -44.12 81.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.934 -179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 41.4 pt -94.97 -3.89 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.941 0.4 . . . . 0.0 111.409 -177.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -91.22 130.65 37.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.377 -177.706 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt 70.61 169.26 0.31 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.68 0.753 . . . . 0.0 111.866 176.397 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.921 175.219 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.547 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.933 0.396 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -122.88 100.03 6.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.193 0.521 . . . . 0.0 110.703 179.09 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -109.54 121.73 45.84 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.663 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.77 130.27 46.78 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.565 175.19 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.68 138.13 19.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.58 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m -80.74 101.53 9.37 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.386 -179.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.7 p -80.21 179.57 7.59 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.458 177.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 86.9 m -52.91 -44.4 66.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 177.517 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -60.63 -42.79 97.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.107 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -67.07 -38.47 85.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.166 179.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.5 -30.25 71.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.61 -30.39 71.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.717 177.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.459 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 98.8 mtt180 -69.59 -58.39 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.045 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -59.19 -31.39 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.232 -176.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HG2' ' OH ' ' A' ' 46' ' ' TYR . 39.1 mtt180 -54.47 -53.13 58.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.343 178.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -66.34 -42.07 88.67 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.507 -175.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 13' ' ' ARG . 9.9 mt-10 -60.61 -33.39 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.461 -178.651 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.8 m -83.68 -37.23 23.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.261 178.209 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -53.52 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.741 0.305 . . . . 0.0 111.162 -177.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -64.91 -23.21 67.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.757 -179.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.8 t -86.47 -47.3 9.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.708 0.289 . . . . 0.0 110.984 -177.23 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.59 12.3 14.98 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 55.19 37.25 28.62 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.487 -179.135 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.0 mm -70.44 117.59 56.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.013 179.114 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -61.93 141.11 88.39 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.396 2.064 . . . . 0.0 111.47 178.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.17 -30.2 48.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.798 178.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -48.58 -49.74 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.296 175.329 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 42.7 m-85 -67.21 -38.87 86.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.61 177.39 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.66 -42.45 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.482 -178.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 11.4 mt-10 -61.61 -35.78 78.84 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.153 0.502 . . . . 0.0 110.283 177.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 92.5 mttt -67.53 -47.06 71.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.751 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 14.1 m-85 -58.83 -36.13 74.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.004 0.431 . . . . 0.0 110.917 179.693 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -59.61 -40.68 88.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.909 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 31' ' ' LYS . 50.7 pttt -92.77 23.04 4.35 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.013 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.8 m95 53.81 48.42 21.41 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.49 178.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.78 109.53 13.21 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.649 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -114.89 98.01 48.98 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.402 -176.511 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.84 142.25 92.81 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.483 2.122 . . . . 0.0 112.304 175.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -77.04 83.35 3.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.785 0.802 . . . . 0.0 109.817 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 44' ' ' MET . 16.7 t70 -149.11 148.17 29.36 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.155 -176.282 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.66 -22.17 65.07 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.893 -172.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.7 m -65.01 -55.64 17.77 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.399 0.619 . . . . 0.0 110.13 176.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.449 HG23 ' CE1' ' A' ' 32' ' ' PHE . 22.7 m -59.48 -33.55 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.148 178.719 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.601 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.4 mtt -67.42 -50.88 57.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.759 -173.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.88 -28.59 68.45 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.414 178.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.516 ' OH ' ' HG2' ' A' ' 15' ' ' ARG . 27.6 t80 -60.15 -50.51 73.38 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.88 0.371 . . . . 0.0 110.181 174.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.1 mm -60.26 -39.65 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.453 178.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -60.35 -54.75 41.97 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.429 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.8 t -55.98 -47.97 76.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.637 179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.38 -43.52 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.016 0.436 . . . . 0.0 110.943 -179.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 2.5 m-30 -65.7 -24.54 67.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.016 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -77.93 -43.61 29.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 177.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -69.2 -27.06 65.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.288 -179.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 91.1 mtp -87.53 0.32 55.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.074 0.464 . . . . 0.0 110.75 177.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 55.02 46.94 23.2 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.514 -178.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 56' ' ' LEU . 7.4 mt -117.64 -14.05 10.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.044 -175.151 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.441 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 88.0 t80 -138.94 143.32 38.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.313 179.246 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 27.5 t70 -127.78 139.82 52.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.99 177.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.75 -26.85 66.02 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.033 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.43 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 43.8 m -93.58 -65.68 0.97 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -177.673 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.66 -146.09 22.2 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.732 -174.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.89 123.74 14.39 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.96 2.44 . . . . 0.0 112.017 177.012 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 mt -84.46 93.27 8.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.951 -179.654 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 69' ' ' VAL . 73.8 t -51.67 -45.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.519 -174.074 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 29.9 t70 -59.0 -56.78 17.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.613 0.244 . . . . 0.0 111.159 -177.54 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -61.14 -33.65 73.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.897 0.379 . . . . 0.0 110.624 179.008 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.3 mt -61.95 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.377 179.33 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 65' ' ' VAL . 60.2 t -70.03 -42.67 79.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.651 177.558 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.467 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 35.2 m-70 -58.33 -33.16 69.21 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.859 0.361 . . . . 0.0 111.211 178.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -85.57 -60.88 1.9 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -178.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 91.7 mt -64.15 -42.17 96.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.615 -173.325 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.72 35.18 0.09 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -177.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' A' ' 72' ' ' LEU . 60.5 t-80 -61.66 88.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.16 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.03 33.55 32.66 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.577 179.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -145.56 169.52 18.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.416 0.15 . . . . 0.0 110.937 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -58.19 105.66 0.3 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.997 178.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.72 -36.23 73.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.333 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.8 -46.4 82.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.021 -179.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.57 -48.09 82.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.205 0.526 . . . . 0.0 110.047 177.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.4 -48.56 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.344 179.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -55.06 -45.23 75.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.485 177.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 m -63.54 -47.02 83.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.787 -177.682 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -60.49 -42.87 97.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.395 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 89' ' ' VAL . 36.4 t -58.07 -52.35 59.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.239 176.669 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.0 mt -58.45 -29.69 66.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -69.59 -20.16 63.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.55 179.152 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 11.3 m -104.65 -13.56 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.925 -179.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.6 t -69.86 124.25 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.541 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -141.53 168.24 20.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.662 -176.522 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -88.55 152.45 21.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.0 0.428 . . . . 0.0 110.821 -175.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -81.43 67.08 7.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.503 0.668 . . . . 0.0 110.549 -177.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.3 p -78.11 -26.87 48.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.031 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD1' ' A' ' 99' ' ' HIS . 8.3 p-10 -80.91 -13.23 59.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.679 -178.152 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 64.1 t30 66.09 40.16 4.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.634 169.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -143.32 111.79 6.33 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 171.448 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.24 -31.6 72.84 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -173.108 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 78.2 m -61.92 -38.4 88.26 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.589 -0.444 . . . . 0.0 109.807 174.145 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.412 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 26.9 t-80 -83.24 -24.71 32.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.329 -177.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 9.5 t90 -63.91 -53.8 44.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.745 177.009 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.79 -37.63 87.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.494 177.29 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -68.09 -33.65 74.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.93 -179.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.0 ttp85 -73.23 -37.05 66.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.21 -177.39 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.99 -44.09 94.95 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.334 175.235 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -64.97 -49.16 71.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.545 -0.328 . . . . 0.0 110.933 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -62.44 -40.5 96.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.105 -176.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.7 t -60.53 -44.37 96.13 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.289 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -74.87 -48.37 25.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.935 -173.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -19.17 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.482 -178.69 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -66.18 -30.51 70.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.485 . . . . 0.0 110.447 178.106 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-20 -112.97 -34.61 5.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.286 -175.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -134.83 68.83 1.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.708 -171.167 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.4 tp -86.29 -33.45 20.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.745 0.307 . . . . 0.0 111.448 -177.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 m -66.15 -31.3 72.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -178.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -63.89 -35.8 81.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.264 0.554 . . . . 0.0 109.786 174.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 55.3 mt -67.61 -42.04 86.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.129 179.526 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -64.81 -40.11 94.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.718 178.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.92 -33.66 66.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.141 -178.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.448 ' HB3' ' HA ' ' A' ' 72' ' ' LEU . 88.9 p -62.08 -38.2 87.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.578 -177.137 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 35.6 pt -92.05 1.16 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.931 0.396 . . . . 0.0 111.199 -179.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -89.96 123.68 34.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.72 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -74.11 142.1 45.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.703 178.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 C--O 1.249 1.06 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.798 -178.557 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.518 ' O2 ' ' HB3' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 121.311 0.577 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.45 135.37 38.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.206 -176.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -69.3 113.71 6.89 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.42 0.628 . . . . 0.0 110.944 -178.372 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 p -98.39 119.14 36.55 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.675 177.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.664 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -86.38 150.94 3.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.602 -178.165 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 p -70.82 90.29 0.79 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.589 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.3 p -67.01 176.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.848 -174.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 12' ' ' GLN . 4.6 m -55.23 -41.77 72.53 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.085 0.469 . . . . 0.0 110.241 176.147 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -63.8 -42.28 97.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.186 178.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.43 -40.01 96.03 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.996 0.426 . . . . 0.0 110.001 176.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 15' ' ' ARG . 67.1 tp -62.93 -35.04 78.79 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 -179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.558 ' HA ' ' HG3' ' A' ' 15' ' ' ARG . 98.3 mt-30 -67.01 -19.26 65.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.149 -179.571 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -75.29 -42.99 53.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.513 178.019 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.84 -21.33 57.37 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.163 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.558 ' HG3' ' HA ' ' A' ' 12' ' ' GLN . 13.1 mmm180 -50.27 -65.87 0.49 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.787 172.668 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -53.95 -48.68 70.03 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.212 -178.033 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -54.15 39.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.036 0.446 . . . . 0.0 110.887 -178.048 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.4 m -72.13 -32.33 66.83 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.466 -177.589 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -66.78 -53.48 34.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.682 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.4 t -63.84 -38.96 93.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.361 -177.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.4 m -75.47 -44.68 42.85 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -176.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.33 8.11 19.91 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -177.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 56.14 33.99 23.03 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.511 178.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.4 mm -62.48 122.51 74.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.531 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -59.74 139.88 90.72 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.605 2.204 . . . . 0.0 111.545 177.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -33.46 62.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.731 -177.188 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.17 -52.21 64.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 176.424 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -58.3 -38.88 77.95 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 177.149 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -57.72 -48.02 84.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.448 -178.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.4 mt-10 -62.78 -36.86 84.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.387 0.613 . . . . 0.0 110.019 178.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.571 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -72.11 -37.66 69.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.377 -176.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.06 -31.95 73.13 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.228 0.537 . . . . 0.0 110.022 175.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -59.81 -34.31 72.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.115 178.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -89.39 21.43 3.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.075 178.731 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.7 m95 51.64 41.91 29.24 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.242 -176.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 61.4 mt-10 -104.41 109.83 21.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.647 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -119.34 85.4 31.0 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.433 -179.088 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -63.1 155.02 63.65 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.906 2.404 . . . . 0.0 112.209 175.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.84 81.58 5.11 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.945 179.615 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 44' ' ' MET . 12.5 t70 -145.8 143.56 29.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.224 -177.316 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -58.03 -30.49 66.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.669 -174.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.0 m -60.51 -56.34 22.55 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.169 0.509 . . . . 0.0 110.359 177.13 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -56.08 -36.9 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.044 176.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.8 mtt -67.29 -47.45 70.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.417 -176.086 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.75 -31.98 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.497 178.215 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -60.85 -50.15 74.61 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.223 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.1 mm -60.02 -40.33 82.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.723 178.154 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 98' ' ' CYS . 14.4 tmtt? -60.2 -52.67 64.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.473 -179.154 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.6 t -58.74 -48.14 82.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.685 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.3 -47.94 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.867 0.365 . . . . 0.0 111.407 -177.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -63.09 -28.96 70.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.409 0.623 . . . . 0.0 110.668 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -73.59 -42.87 61.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.498 177.651 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -72.1 -23.6 61.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.243 -176.649 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 89.6 mtp -89.0 5.16 45.59 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.306 179.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 57.53 41.18 26.27 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.435 -178.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD22 HD23 ' A' ' 68' ' ' LEU . 7.4 mt -119.13 -17.1 9.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 -174.657 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 83.0 t80 -139.73 137.64 35.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.953 179.194 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' OD1' ' HB ' ' A' ' 60' ' ' THR . 23.0 t70 -121.81 142.58 50.07 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.112 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -77.79 -12.45 59.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.789 0.328 . . . . 0.0 111.188 -173.153 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.432 ' HB ' ' OD1' ' A' ' 58' ' ' ASP . 19.0 m -98.55 -62.12 1.28 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.008 177.45 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -72.66 -27.0 61.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.515 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.9 -152.56 20.8 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 121.013 -0.613 . . . . 0.0 111.849 -174.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.09 124.51 16.38 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.952 2.435 . . . . 0.0 111.624 176.143 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -82.99 85.49 7.16 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 69' ' ' VAL . 91.5 t -49.38 -42.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.307 -174.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.01 -54.45 46.96 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.297 -177.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -64.4 -34.34 77.96 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 177.675 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 HD22 ' A' ' 56' ' ' LEU . 17.7 mt -60.46 -45.3 94.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.45 -179.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 65' ' ' VAL . 64.7 t -68.66 -42.21 83.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 110.605 177.616 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -60.93 -28.42 68.93 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.29 -179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.664 ' OE1' ' HB ' ' A' ' 5' ' ' VAL . 5.9 tp60 -90.26 -58.5 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.408 179.039 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.663 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 98.7 mt -64.85 -36.18 83.51 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -174.238 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -77.74 33.91 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.813 178.031 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -70.83 79.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.986 178.856 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.55 27.27 8.12 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.244 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' HD2' HD13 ' A' ' 115' ' ' LEU . 25.8 mtt180 -145.87 163.59 34.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.149 0.5 . . . . 0.0 111.58 -179.407 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -60.13 110.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.732 177.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.73 74.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.123 -176.332 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.32 -45.89 91.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.337 -179.037 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -61.26 -46.75 89.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.086 0.469 . . . . 0.0 110.369 176.398 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.3 t -59.24 -50.02 81.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.709 -179.735 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -56.7 -44.2 81.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.714 0.292 . . . . 0.0 110.676 179.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -63.3 -51.77 64.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.207 -179.086 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.63 -37.86 82.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.488 179.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 89' ' ' VAL . 30.9 t -61.61 -50.89 78.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.71 0.29 . . . . 0.0 110.711 174.217 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.6 mt -58.63 -32.67 69.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.756 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -17.26 64.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 110.759 177.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 43.0 m -103.38 -14.58 16.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.374 -179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 85' ' ' VAL . 65.1 t -79.09 120.44 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.541 174.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -145.77 -179.35 6.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.081 178.551 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -77.04 157.63 31.01 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.259 0.552 . . . . 0.0 111.338 -174.085 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -79.23 72.0 5.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.509 179.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.6 p -78.1 -19.3 54.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.482 -179.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.11 -17.08 57.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.939 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 61.23 20.99 11.51 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.724 -179.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -141.25 127.26 19.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -178.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.38 -34.75 78.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.276 -173.562 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 48' ' ' LYS . 64.3 m -62.85 -39.47 94.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.258 0.552 . . . . 0.0 109.988 176.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -75.41 -32.2 60.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.049 -178.685 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 8.6 t90 -69.98 -52.07 27.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.662 -176.135 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.404 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -62.89 -36.25 82.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.656 179.323 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.45 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 68.4 t80 -70.46 -27.85 64.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.588 -179.316 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -68.56 -42.12 78.79 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.76 -42.63 93.01 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.55 178.173 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.553 ' O ' ' HG2' ' A' ' 109' ' ' GLN . 20.6 t80 -65.04 -46.35 81.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.497 -0.352 . . . . 0.0 110.6 -179.249 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -55.35 -54.38 44.37 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.381 179.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.54 -41.37 80.81 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.785 -176.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.55 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.7 t80 -76.93 -47.0 22.23 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.624 -173.21 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 105' ' ' PHE . 6.1 pt20 -66.28 -21.85 66.29 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.969 0.414 . . . . 0.0 110.767 -177.838 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 110' ' ' LYS . 1.5 tmtp? -63.71 -30.6 71.68 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.004 179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -110.55 -30.61 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -179.5 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.506 ' O ' HG13 ' A' ' 116' ' ' ILE . 89.0 m-20 -137.0 66.12 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -171.209 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 63.2 tp -82.9 -36.8 25.01 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.925 178.611 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.0 m -63.72 -33.73 76.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.778 179.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.401 HD13 ' HD2' ' A' ' 76' ' ' ARG . 58.9 tp -66.53 -37.32 84.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.377 177.017 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 112' ' ' ASN . 65.4 mt -62.16 -42.89 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.008 179.155 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -66.92 -32.03 73.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.829 178.003 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.44 -30.83 57.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.646 -179.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.663 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 19.5 m -61.98 -40.38 95.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.394 -179.234 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 40.4 pt -90.84 4.05 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.282 -179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -79.56 134.82 36.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.045 0.45 . . . . 0.0 110.853 -178.019 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.605 ' HD3' ' H ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -100.08 96.14 7.31 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.655 177.751 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 . . . . . 0 C--O 1.245 0.848 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.067 178.041 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.414 ' C1 ' HH11 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.483 1.188 0 CA-C-O 120.559 0.218 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -101.22 121.34 41.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.923 0.392 . . . . 0.0 110.431 177.524 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -74.08 112.38 10.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.46 -178.255 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.19 131.22 44.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.416 0.626 . . . . 0.0 110.832 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -109.14 159.29 8.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.084 -0.962 . . . . 0.0 108.632 176.69 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.0 p -93.54 95.68 9.39 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 -178.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.2 p -76.82 -179.88 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 177.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.6 m -58.64 -38.92 79.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.008 0.433 . . . . 0.0 110.586 177.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.501 ' HA ' HE21 ' A' ' 12' ' ' GLN . 1.6 mp0 -60.73 -46.35 90.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.752 177.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.63 -40.94 98.57 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 120.975 0.417 . . . . 0.0 110.081 177.065 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.548 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 67.5 tp -59.15 -42.37 90.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.416 -176.642 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.501 HE21 ' HA ' ' A' ' 9' ' ' GLU . 50.5 mt-30 -60.11 -34.22 73.19 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.187 0.518 . . . . 0.0 110.892 -178.178 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 39.5 ttp-105 -65.04 -44.25 89.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.647 178.491 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -73.1 -34.93 66.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.816 -174.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 8.5 mtm180 -63.8 -39.44 94.24 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.441 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -59.24 -50.5 73.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.279 -177.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 4.8 mm-40 -64.28 -44.14 92.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.009 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.62 -33.58 75.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.417 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -66.52 -52.11 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.914 0.388 . . . . 0.0 110.613 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.0 p -65.85 -37.43 86.16 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.563 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.7 t -72.43 -45.96 57.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.695 0.283 . . . . 0.0 110.94 -177.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.71 6.85 29.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.382 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 m120 54.51 35.57 23.7 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.793 179.664 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.2 mm -63.79 123.15 80.64 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.297 178.487 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -62.84 137.4 62.73 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.514 2.142 . . . . 0.0 111.437 177.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.6 -32.62 59.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.949 -172.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.09 -44.84 91.96 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.002 0.189 . . . . 0.0 111.261 -178.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 53.6 m-85 -60.12 -42.54 95.0 Favored 'General case' 0 CA--C 1.523 -0.075 0 CA-C-O 120.792 0.33 . . . . 0.0 110.726 174.509 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.7 t -57.74 -46.74 86.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.747 -175.085 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.7 mt-10 -63.35 -37.51 87.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.201 178.467 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -74.44 -23.88 58.99 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.931 -174.27 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 23.3 m-85 -69.28 -32.54 71.77 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 177.318 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -70.38 -19.15 63.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.716 -178.275 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -86.37 9.73 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.432 . . . . 0.0 110.169 175.284 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.451 ' CZ2' ' HG2' ' A' ' 117' ' ' LYS . 99.5 m95 60.68 45.16 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.989 -178.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -125.66 109.89 13.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.954 0.407 . . . . 0.0 110.196 176.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -114.27 96.04 41.21 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.575 -176.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.05 146.05 98.2 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.742 2.295 . . . . 0.0 112.249 177.216 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.46 81.01 5.77 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.614 179.305 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 44' ' ' MET . 10.5 t70 -146.62 146.51 30.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.34 -175.353 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -48.28 -42.91 32.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.432 0.458 . . . . 0.0 111.925 -176.244 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.5 m -52.52 -58.32 7.13 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.376 -178.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.408 HG23 ' CE2' ' A' ' 32' ' ' PHE . 21.7 m -59.84 -33.15 71.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.337 179.51 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 65.5 mtt -67.84 -52.95 30.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.961 -173.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 89.2 m -63.96 -30.6 71.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.292 178.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -61.46 -50.36 73.09 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 176.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.4 mm -59.14 -40.19 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.948 178.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -49.11 74.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.312 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.3 t -58.29 -47.53 83.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.504 177.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.9 -48.91 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 121.058 0.456 . . . . 0.0 111.181 -177.327 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-30 -63.89 -26.39 68.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.787 -178.415 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -76.71 -40.05 49.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.307 -179.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -75.51 -19.39 59.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.246 -179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 85.7 mtp -90.0 7.72 36.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.487 178.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 55.48 40.85 31.29 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.182 -178.405 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.439 HD22 HD23 ' A' ' 68' ' ' LEU . 6.8 mt -120.61 -20.96 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.477 0.656 . . . . 0.0 110.966 -174.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 62.8 t80 -140.02 133.98 30.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.078 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -101.24 133.31 46.0 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 177.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -59.79 -21.09 60.33 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.775 -173.504 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 24.3 m -110.36 -53.67 2.66 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -84.92 -0.45 54.24 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -173.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.69 -155.87 35.97 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.499 -0.858 . . . . 0.0 113.836 172.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -61.21 129.29 27.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.048 2.499 . . . . 0.0 111.798 -179.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.5 mt -94.22 92.08 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.356 0.598 . . . . 0.0 109.431 178.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 69' ' ' VAL . 84.0 t -50.62 -44.31 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.768 -172.355 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.434 ' O ' ' HD2' ' A' ' 70' ' ' HIS . 7.7 m-20 -57.98 -54.49 46.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.845 0.355 . . . . 0.0 110.806 -177.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.06 -35.36 78.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.607 179.147 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.439 HD23 HD22 ' A' ' 56' ' ' LEU . 17.4 mt -60.56 -43.8 96.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.537 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 65' ' ' VAL . 60.7 t -69.63 -40.33 79.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.841 178.566 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.434 ' HD2' ' O ' ' A' ' 66' ' ' ASP . 59.8 m-70 -60.71 -31.04 70.34 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.225 178.59 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -88.21 -54.86 3.99 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.38 -177.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.633 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 96.2 mt -69.03 -48.23 63.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -175.102 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.69 33.4 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -172.633 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -73.46 104.91 4.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 122.057 -0.402 . . . . 0.0 110.212 175.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.48 17.64 54.49 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.542 179.51 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' HD2' HD13 ' A' ' 115' ' ' LEU . 25.9 mtt180 -145.98 165.37 29.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.724 0.297 . . . . 0.0 111.459 -178.276 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.76 109.46 1.43 Allowed 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.501 179.144 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.31 -34.13 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.309 178.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -60.27 -48.85 79.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.236 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 84' ' ' GLU . 7.2 mm-40 -69.29 -44.86 70.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.6 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.84 -48.53 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.224 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -57.86 -42.14 83.87 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.88 0.372 . . . . 0.0 110.589 177.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -61.77 -53.8 51.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.05 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 80' ' ' GLU . 36.8 mt-10 -58.84 -41.02 85.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.414 178.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 89' ' ' VAL . 28.8 t -57.9 -49.49 80.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 120.792 0.329 . . . . 0.0 111.018 175.286 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.14 -29.76 68.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.905 -178.338 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.04 -16.9 62.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 110.447 177.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.5 m -103.9 -14.54 15.96 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.441 -179.494 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 85' ' ' VAL . 89.4 t -74.61 128.97 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.775 174.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -132.99 163.47 29.15 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.95 -178.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -78.29 157.22 29.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.197 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -81.55 59.19 4.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.469 0.652 . . . . 0.0 110.529 -178.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.0 p -77.69 -14.86 59.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.067 175.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 20.6 t70 -77.65 -21.68 51.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.045 178.574 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 61.0 26.49 16.45 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 114.484 -1.234 . . . . 0.0 111.759 177.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.426 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 19.3 t-20 -146.67 122.49 10.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.142 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.53 -35.23 80.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.222 -174.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 65.0 m -64.11 -47.87 78.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.663 0.268 . . . . 0.0 110.917 -178.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.564 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 8.1 t-160 -78.75 -25.92 44.54 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -176.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -64.5 -56.56 13.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.524 178.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 57' ' ' PHE . . . -61.72 -37.11 83.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.161 0.505 . . . . 0.0 110.464 179.269 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.446 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 69.9 t80 -67.45 -32.44 73.31 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.961 -178.712 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 99' ' ' HIS . 51.9 mtm180 -67.22 -41.14 86.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 110.51 179.076 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' O ' H191 ' A' ' 201' ' ' ACD . . . -64.99 -47.05 86.89 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.554 178.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.82 -46.71 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.257 . . . . 0.0 110.455 179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -59.14 -47.08 86.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.109 -177.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.6 t -58.97 -43.07 91.3 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.041 -179.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.482 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 30.7 t80 -74.53 -49.83 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.886 -174.613 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -16.94 64.36 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.685 -178.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -69.36 -30.19 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.857 0.361 . . . . 0.0 110.176 177.705 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -115.05 -28.65 6.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.71 0.29 . . . . 0.0 111.601 -177.011 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -135.75 68.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.193 -172.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.3 tp -88.89 -33.56 17.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.504 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 t -64.34 -33.74 76.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.996 0.427 . . . . 0.0 110.102 -178.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 76' ' ' ARG . 56.3 tp -63.91 -40.01 95.49 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.029 176.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 60.4 mt -60.45 -42.97 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.788 -177.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' HG2' ' CZ2' ' A' ' 35' ' ' TRP . 96.5 mttt -62.01 -40.86 97.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.66 178.33 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.37 -29.32 59.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.834 -178.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.633 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 49.2 m -60.06 -39.18 85.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.818 -178.411 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 28.8 pt -91.9 -5.43 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -178.485 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -90.55 122.18 33.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.415 -177.542 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 122' ' ' LYS . 7.6 tptp -114.87 78.81 1.19 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.407 0.622 . . . . 0.0 110.248 177.681 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.945 -179.237 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.484 ' H31' HD21 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 63.55 84.34 0.15 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.556 0.535 . . . . 0.0 110.515 -177.271 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -67.85 121.15 15.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.581 -178.383 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.4 133.27 52.81 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.393 177.604 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.414 ' HB ' HE22 ' A' ' 71' ' ' GLN . 0.9 OUTLIER -90.67 145.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.451 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -67.07 121.93 16.66 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.97 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.5 p -110.26 176.65 4.97 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.615 -176.191 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 35.6 m -58.36 -57.69 11.79 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -176.791 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.95 -38.83 87.24 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.012 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -36.45 66.97 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.039 0.447 . . . . 0.0 110.145 179.488 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.68 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 52.8 tp -59.19 -39.19 81.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.515 172.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 8' ' ' THR . 16.0 mm100 -55.09 -32.61 62.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.183 0.516 . . . . 0.0 111.47 -178.099 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 54.0 ttt180 -68.5 -46.41 69.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.468 -178.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 36.1 m-85 -67.02 -38.36 85.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.996 -177.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.68 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 32.2 mtp180 -58.29 -45.68 87.48 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.8 m -59.05 -51.4 70.22 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.873 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 9.2 mm-40 -58.59 -41.12 85.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.553 -179.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' SG ' HG12 ' A' ' 50' ' ' VAL . 95.2 m -70.4 -30.09 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.796 0.331 . . . . 0.0 110.984 -179.52 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.07 -51.7 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.283 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.1 t -66.69 -36.0 81.46 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.281 -179.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 t -72.46 -49.68 31.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.712 0.292 . . . . 0.0 111.335 -176.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -87.54 6.49 34.04 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.385 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 55.66 39.87 30.91 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.199 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 41.5 mm -62.51 124.73 83.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.664 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -61.8 141.26 89.63 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.84 2.36 . . . . 0.0 111.28 177.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -53.32 -34.96 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.378 -175.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.03 -51.11 67.3 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.277 0.361 . . . . 0.0 111.246 179.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -56.88 -42.72 80.34 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.924 176.643 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.7 t -58.12 -45.82 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.419 -177.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 12.6 mt-10 -65.78 -35.89 81.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 110.281 178.075 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HG3' ' HB2' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -74.87 -27.12 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.104 -174.671 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -69.2 -22.04 63.92 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.39 . . . . 0.0 110.49 178.124 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -69.16 -27.4 65.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.924 0.392 . . . . 0.0 110.229 178.348 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -96.98 24.6 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.288 179.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 96.1 m95 51.0 42.31 28.28 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.239 -179.515 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . 38.7 mt-10 -108.23 112.89 25.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.276 176.335 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -119.33 90.26 41.83 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -178.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.93 144.21 94.55 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.777 2.318 . . . . 0.0 112.723 177.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -86.84 77.72 9.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.665 -178.357 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.6 OUTLIER -154.34 165.75 35.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.915 179.096 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -46.31 -42.85 15.28 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -173.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -53.64 -62.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.105 0.479 . . . . 0.0 111.631 -174.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 m -61.12 -33.94 74.18 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.585 -178.839 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.529 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 66.8 mtt -64.54 -54.24 35.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.69 -174.007 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 94.6 m -67.87 -28.87 67.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.634 179.279 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' VAL . 41.1 t80 -60.07 -52.23 66.25 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.297 176.481 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mm -57.27 -42.69 80.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.907 178.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' HD2' ' HB1' ' A' ' 97' ' ' ALA . 19.1 ttpp -61.24 -46.98 88.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.087 0.47 . . . . 0.0 110.378 -178.018 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -57.44 -50.05 74.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.134 -178.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 46' ' ' TYR . 0.6 OUTLIER -70.35 -30.04 41.51 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.335 -175.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.4 m-85 -71.72 -29.97 65.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.641 179.398 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -72.84 -41.32 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.01 175.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 66.1 mttm -71.12 -29.96 65.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.229 -178.658 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 84.0 mtp -84.93 1.16 48.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.381 -179.672 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 57.58 44.21 21.34 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD11 ' HG2' ' A' ' 71' ' ' GLN . 5.8 mt -118.63 -22.3 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.004 -175.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.553 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 72.3 t80 -133.67 132.66 40.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.108 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -101.78 132.16 47.68 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 176.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -64.7 -16.62 63.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.833 -171.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.9 m -103.56 -60.37 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.153 178.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -79.59 -8.56 59.26 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -174.187 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.21 -153.83 26.97 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.308 -0.949 . . . . 0.0 113.204 177.329 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -60.19 124.48 15.32 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.042 2.495 . . . . 0.0 111.951 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.0 mt -88.69 92.02 9.04 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.3 t -51.87 -43.94 36.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.589 -173.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.35 -49.46 77.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.627 0.251 . . . . 0.0 111.378 -177.432 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -66.29 -37.06 84.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.774 0.321 . . . . 0.0 110.232 178.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.423 HD22 H161 ' A' ' 201' ' ' ACD . 19.2 mt -60.12 -45.69 92.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.255 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 65' ' ' VAL . 84.1 t -68.74 -44.7 82.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.122 178.639 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -62.22 -26.98 68.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.438 . . . . 0.0 111.15 179.097 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.426 ' HG2' HD11 ' A' ' 56' ' ' LEU . 32.5 tp60 -82.28 -60.79 2.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.247 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.07 -49.63 66.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.493 -177.114 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 81' ' ' VAL . . . -81.22 33.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -175.586 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.422 ' NE2' ' HA ' ' A' ' 119' ' ' SER . 1.7 p80 -73.39 82.8 1.43 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 122.135 0.969 . . . . 0.0 110.472 -178.782 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.97 26.71 7.77 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.447 -174.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -141.86 169.71 17.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.45 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.53 104.51 0.81 Allowed 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 121.358 0.599 . . . . 0.0 111.427 178.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.75 67.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.206 178.672 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.97 -43.26 96.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.13 -178.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -71.08 -46.22 62.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.193 0.52 . . . . 0.0 110.225 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 73' ' ' ALA . 71.4 t -60.32 -46.92 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.746 -179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -57.76 -44.52 86.19 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.652 177.385 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 m -59.39 -49.61 77.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -59.0 -45.55 90.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.127 178.178 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.8 t -56.43 -49.53 76.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 177.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.17 -31.63 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.665 -177.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -66.26 -22.36 66.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.175 0.512 . . . . 0.0 110.468 178.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.4 m -104.39 -13.4 16.11 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.329 -175.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 85' ' ' VAL . 98.7 t -70.82 113.33 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.985 0.422 . . . . 0.0 109.988 176.044 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -121.64 166.94 13.5 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.252 -178.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -84.25 153.72 23.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.896 -177.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -79.78 73.81 6.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.586 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.3 p -87.21 -9.49 55.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.679 -179.269 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.97 -19.55 25.58 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 178.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.89 20.63 12.17 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.77 -176.468 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -131.86 118.78 20.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.725 -178.417 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 48' ' ' LYS . . . -67.13 -34.51 77.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.099 -172.617 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.47 -45.5 93.98 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.957 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -76.65 -24.97 53.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.174 -176.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -69.13 -54.41 15.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.63 179.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.2 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.281 0.562 . . . . 0.0 110.399 178.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.65 -30.86 71.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.539 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -66.16 -46.34 77.77 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.854 0.359 . . . . 0.0 110.435 178.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.14 -46.37 94.66 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.906 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -66.43 -47.17 74.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.732 0.301 . . . . 0.0 111.024 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -60.68 -45.48 93.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.201 -177.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.32 -43.99 97.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -73.23 -46.73 48.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.921 -173.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -67.63 -18.32 64.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.798 0.333 . . . . 0.0 111.527 -177.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -70.29 -26.12 63.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.93 179.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -123.21 -29.65 3.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.821 -175.224 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -133.49 63.71 1.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.158 0.504 . . . . 0.0 110.953 -173.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.2 tp -84.37 -25.34 29.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 -178.715 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.0 m -64.92 -39.08 92.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.567 179.367 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 58.2 tp -66.2 -33.02 74.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.034 0.445 . . . . 0.0 110.301 178.57 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.55 -45.09 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.977 178.264 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -63.42 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.666 177.173 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.32 -32.2 73.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.731 -179.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.422 ' HA ' ' NE2' ' A' ' 74' ' ' HIS . 20.6 t -63.5 -40.2 96.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.415 -178.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 38.9 pt -98.57 6.13 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.321 . . . . 0.0 111.622 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -74.64 129.27 37.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.116 0.484 . . . . 0.0 111.329 -177.011 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -127.82 136.28 51.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.601 176.283 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.038 178.823 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.446 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.784 0.326 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -86.12 103.41 14.75 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -61.79 117.25 5.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.342 0.591 . . . . 0.0 110.085 -179.624 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.18 123.68 42.37 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.333 -177.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.479 ' HB ' HE21 ' A' ' 71' ' ' GLN . 0.9 OUTLIER -87.61 144.72 8.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.418 -177.208 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -81.54 102.95 10.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.059 -178.109 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.7 p -82.42 -179.75 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 m -57.03 -40.03 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 110.446 178.207 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -58.34 -42.55 87.1 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.964 178.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -76.18 -38.87 56.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.428 -177.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' ARG . 62.8 tp -61.68 -43.46 98.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.695 -175.032 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -69.69 -23.63 63.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.364 . . . . 0.0 110.719 -177.842 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.1 -53.54 24.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.115 177.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -66.16 -38.69 88.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.159 0.504 . . . . 0.0 110.743 -178.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.509 ' HD2' ' O2 ' ' A' ' 201' ' ' ACD . 0.1 OUTLIER -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.681 -179.374 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -60.86 -50.65 72.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.091 176.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' HE3' ' A' ' 53' ' ' LYS . 6.5 mt-10 -65.64 -39.31 91.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.667 -176.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' SG ' ' HD2' ' A' ' 53' ' ' LYS . 99.8 m -65.62 -33.18 75.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 179.691 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.3 -50.87 58.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 CA-C-O 121.09 0.471 . . . . 0.0 110.077 178.007 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.1 m -62.0 -44.93 95.68 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.456 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 t -69.58 -48.63 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.704 -175.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.76 8.57 11.86 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 -175.168 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 55.54 37.43 28.87 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.782 0.676 . . . . 0.0 111.349 179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.9 mm -66.32 122.6 82.34 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.607 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -62.97 143.64 91.51 Favored 'Trans proline' 0 C--O 1.237 0.456 0 C-N-CA 122.735 2.29 . . . . 0.0 111.543 176.3 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -55.15 -31.22 61.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.11 -179.517 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -50.25 -54.3 22.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.571 175.724 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 44.1 m-85 -64.36 -36.98 85.91 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.678 179.012 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.67 -44.33 76.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.648 -178.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 9.0 mt-10 -64.62 -36.85 85.58 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.9 0.381 . . . . 0.0 110.512 179.335 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -64.7 -46.58 81.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.774 -178.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 13.6 m-85 -58.58 -41.22 85.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.114 0.483 . . . . 0.0 110.709 179.367 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -61.38 -33.48 73.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.714 -178.172 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -88.92 17.93 5.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.358 179.7 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 94.9 m95 55.54 49.52 16.46 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.611 -177.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -126.82 109.43 11.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.572 176.694 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -115.73 98.52 51.1 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -175.325 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -62.79 147.68 94.37 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.97 2.447 . . . . 0.0 113.221 177.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -82.82 80.29 8.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.051 178.364 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.596 ' O ' ' HG3' ' A' ' 44' ' ' MET . 0.0 OUTLIER -153.76 159.75 42.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.732 -178.639 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.03 -45.08 51.78 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -175.077 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.7 m -53.38 -60.14 3.68 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.464 0.478 . . . . 0.0 111.386 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.7 m -59.84 -35.41 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.447 179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 67.2 mtt -65.69 -53.16 44.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.593 -175.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.45 -27.59 66.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.678 -179.212 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -60.89 -49.85 75.78 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.25 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.2 mm -60.48 -37.72 75.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.668 178.514 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 1.4 tmmm? -61.55 -54.32 44.69 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -179.367 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.4 t -55.44 -49.14 73.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.579 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.95 -47.7 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-O 121.164 0.507 . . . . 0.0 110.792 -177.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -67.4 -25.39 65.92 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.106 -177.633 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -79.67 -39.9 30.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.449 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 55.5 mttm -67.8 -33.48 74.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.603 179.264 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 53.8 mtp -84.8 9.88 12.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.505 -179.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 55.8 43.91 26.94 Favored 'General case' 0 C--N 1.338 0.108 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.61 177.492 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 68' ' ' LEU . 8.9 mt -122.56 -17.61 6.91 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.409 -174.448 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 73.2 t80 -142.95 140.28 31.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.96 178.78 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -124.11 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.118 178.079 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.16 -17.99 65.07 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 53.9 m -100.36 -62.48 1.24 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.488 -179.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -78.22 -15.26 58.97 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -175.437 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.11 -151.27 28.41 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.325 -0.94 . . . . 0.0 112.376 -178.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -62.61 123.98 13.34 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.996 2.464 . . . . 0.0 111.847 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -83.41 95.14 8.15 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 177.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 69' ' ' VAL . 83.3 t -50.08 -45.91 23.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.646 -174.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.3 -51.58 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.756 0.313 . . . . 0.0 111.109 -177.345 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -58.44 -37.83 76.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.194 0.521 . . . . 0.0 110.303 177.51 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 56' ' ' LEU . 15.4 mt -61.91 -40.49 95.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.38 -179.019 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 65' ' ' VAL . 62.0 t -71.68 -40.99 71.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.53 177.451 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -60.12 -29.83 68.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 0.0 111.661 179.411 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.479 HE21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -90.49 -60.35 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.691 -179.304 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' C ' ' H ' ' A' ' 74' ' ' HIS . 86.3 mt -61.82 -40.45 95.31 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -174.03 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 69' ' ' VAL . . . -73.76 33.77 0.08 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.07 0.462 . . . . 0.0 111.888 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.477 ' H ' ' C ' ' A' ' 72' ' ' LEU . 44.6 t-80 -70.77 79.22 0.61 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.793 177.761 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.37 30.57 6.2 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.743 179.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -154.01 169.3 23.83 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.747 0.308 . . . . 0.0 111.265 -179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 81' ' ' VAL . 14.1 m-20 -64.87 110.93 2.6 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.984 -178.181 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.97 -39.11 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.9 -1.045 . . . . 0.0 112.52 -177.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -61.44 -43.47 98.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 0.0 111.286 -178.307 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.57 -45.26 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 77' ' ' ASP . 95.2 t -57.65 -49.02 81.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.334 178.251 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -56.45 -44.06 80.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.012 0.434 . . . . 0.0 110.86 177.603 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.4 m -60.67 -52.61 64.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.245 -177.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -56.89 -42.0 79.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.126 177.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 89' ' ' VAL . 40.8 t -61.0 -50.09 82.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.35 177.525 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.4 mt -56.04 -32.73 64.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.119 -176.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -77.94 -4.69 48.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.219 0.533 . . . . 0.0 111.033 -179.308 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 32.9 m -112.88 -7.12 13.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.408 175.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 85' ' ' VAL . 91.4 t -89.3 102.77 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.008 175.718 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -124.51 179.4 4.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.513 179.035 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -77.77 153.37 32.94 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.371 0.605 . . . . 0.0 111.891 -175.662 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.437 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 50.6 t30 -78.86 75.84 5.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.194 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.1 p -83.16 -21.12 33.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.691 -175.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.581 ' OD1' ' HB3' ' A' ' 99' ' ' HIS . 7.4 p-10 -86.8 -13.46 45.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.33 179.696 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 65.08 25.39 12.53 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.253 174.586 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -133.04 112.36 11.75 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.297 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.88 -29.96 60.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.297 -175.454 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 77.7 m -66.64 -38.95 87.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.774 0.321 . . . . 0.0 110.847 178.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.581 ' HB3' ' OD1' ' A' ' 94' ' ' ASP . 7.0 t-160 -84.32 -28.4 27.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -176.093 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.437 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 9.2 t90 -63.79 -52.82 58.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.097 177.633 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.69 -37.87 88.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 177.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -67.77 -33.86 75.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.959 -179.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -73.56 -39.82 64.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.256 -178.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.489 ' O ' H191 ' A' ' 201' ' ' ACD . . . -63.27 -45.43 95.2 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.655 -0.783 . . . . 0.0 111.458 177.055 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -65.84 -46.5 78.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.376 -0.412 . . . . 0.0 111.034 -179.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -69.03 -34.86 75.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.114 -175.275 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.9 t -62.51 -42.99 99.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.213 0.53 . . . . 0.0 110.613 176.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -73.15 -50.8 20.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.806 -174.241 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -19.55 64.7 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.08 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -68.43 -29.84 68.6 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.514 -179.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -116.45 -29.92 6.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.13 -176.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -135.72 68.82 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.847 0.356 . . . . 0.0 111.368 -172.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.1 tp -85.2 -32.2 22.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.945 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.7 m -62.36 -35.57 79.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.653 -178.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.02 -36.07 82.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 177.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -40.13 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.291 0.567 . . . . 0.0 110.121 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -64.23 -47.24 80.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.765 177.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.47 -28.77 68.15 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.525 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.446 ' OG ' ' HA ' ' A' ' 72' ' ' LEU . 16.8 t -59.82 -44.62 93.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.36 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 42.9 pt -95.24 -1.72 10.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.945 0.403 . . . . 0.0 111.218 -178.86 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -90.21 119.76 30.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.59 -178.681 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -87.79 90.18 8.28 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 178.167 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.249 1.055 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.64 -179.361 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.509 ' O2 ' ' HD2' ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ttt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.611 0.243 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -89.7 110.46 21.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.284 0.564 . . . . 0.0 110.115 177.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -96.58 137.2 36.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.701 179.039 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.07 109.83 22.52 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.677 -178.254 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 m -91.66 148.02 4.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.51 178.272 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -72.93 96.63 2.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.373 178.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.6 p -79.97 179.38 7.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.423 -179.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 5.8 m -54.6 -41.54 70.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.175 0.512 . . . . 0.0 110.93 178.294 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.92 -44.86 91.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.927 -179.024 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.55 -38.86 88.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 0.0 109.875 178.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.63 ' O ' ' HG3' ' A' ' 15' ' ' ARG . 64.1 tp -58.44 -38.6 77.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.812 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 8' ' ' THR . 81.4 mm-40 -61.71 -26.86 68.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -176.587 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -77.85 -41.67 36.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.912 179.65 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -67.91 -28.54 67.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.283 -178.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 27.7 mtp180 -59.25 -53.72 55.09 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.525 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 m -57.14 -49.09 77.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.538 179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.674 -178.078 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.8 m -71.77 -33.26 68.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.148 178.695 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.33 -52.55 56.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 110.365 178.176 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.3 t -64.53 -36.83 85.47 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.562 -178.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.9 m -73.31 -45.42 55.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 0.0 111.388 -177.197 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.94 6.94 29.59 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -176.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 57.34 34.53 24.84 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.72 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.1 mm -64.14 122.05 75.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.77 143.43 99.39 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.944 2.429 . . . . 0.0 111.978 178.058 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.533 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.89 -30.0 57.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.794 -178.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.81 -54.34 24.48 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.563 0.539 . . . . 0.0 111.396 177.221 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 32' ' ' PHE . 56.8 m-85 -61.82 -36.56 81.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.43 179.175 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.46 -43.81 87.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.481 -178.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 14.1 mt-10 -59.9 -36.39 76.87 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.075 0.464 . . . . 0.0 110.3 178.45 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -67.96 -46.47 71.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.046 -179.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 15.7 m-85 -58.68 -34.07 70.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.95 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.15 -24.27 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 0.0 110.623 177.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -105.52 17.12 24.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.368 179.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 67.7 m95 53.87 41.52 32.02 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.285 -177.212 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -110.86 113.15 25.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.132 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -114.64 93.73 34.12 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.291 -177.468 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.74 145.07 91.73 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.588 2.192 . . . . 0.0 112.602 178.21 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -79.04 78.49 5.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.189 0.995 . . . . 0.0 109.606 178.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.654 ' O ' ' HG3' ' A' ' 44' ' ' MET . 14.5 t70 -143.98 145.52 32.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.442 -1.254 . . . . 0.0 109.077 -175.211 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -58.2 -28.8 65.14 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.562 0.539 . . . . 0.0 111.348 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -59.43 -57.34 13.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.052 0.454 . . . . 0.0 110.64 176.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.8 m -59.04 -34.17 71.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.155 178.035 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.654 ' HG3' ' O ' ' A' ' 40' ' ' ASP . 64.4 mtt -67.18 -47.04 72.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.57 -174.092 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 71.9 m -66.46 -32.23 73.47 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.05 -49.43 77.93 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.264 176.313 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mm -61.02 -39.83 83.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.832 178.181 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -61.0 -50.11 74.72 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.331 -179.237 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.9 t -59.31 -47.93 83.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.452 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.7 t -61.4 -47.19 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.502 . . . . 0.0 111.015 -177.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 57' ' ' PHE . 3.2 m-30 -63.37 -27.92 69.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.689 179.707 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -79.29 -39.88 31.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.994 179.342 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -68.76 -27.02 65.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.617 -179.015 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 86.0 mtp -92.54 8.89 36.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.601 -179.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 54.75 48.57 19.89 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 HD23 ' A' ' 68' ' ' LEU . 7.1 mt -124.87 -17.38 5.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.195 -176.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 51' ' ' PHE . 70.4 t80 -139.18 144.13 38.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.507 178.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -123.26 137.79 54.78 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.61 -12.83 61.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -174.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.0 m -103.5 -63.14 1.21 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.996 0.427 . . . . 0.0 111.568 177.035 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.43 -8.98 58.58 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -174.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.93 -144.27 27.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.342 179.716 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.64 123.72 10.42 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.392 2.062 . . . . 0.0 111.764 -178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.2 mt -83.16 90.83 7.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.767 -178.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.4 t -49.32 -43.98 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.823 -1.081 . . . . 0.0 112.78 -174.369 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -62.53 -49.93 73.38 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.609 0.225 . . . . 0.0 111.609 -176.36 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -66.02 -35.48 80.68 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.987 0.423 . . . . 0.0 110.326 177.305 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 56' ' ' LEU . 18.3 mt -58.9 -48.98 79.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.281 179.638 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.18 -38.78 78.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 177.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -57.49 -34.67 69.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.765 178.355 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.623 ' HG3' ' OG ' ' A' ' 119' ' ' SER . 7.9 tp60 -89.73 -56.32 3.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.525 -177.101 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD13 ' CZ ' ' A' ' 108' ' ' PHE . 94.8 mt -62.96 -43.21 99.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -175.378 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.11 34.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -177.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -73.4 86.58 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 97.43 30.44 7.31 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 178.542 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' HD2' HD13 ' A' ' 115' ' ' LEU . 21.1 mtt180 -153.26 167.6 28.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 110.677 178.531 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.51 108.48 0.97 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.713 178.218 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.41 66.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.195 178.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.76 -52.55 64.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.118 178.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.66 -43.21 85.16 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.243 -178.566 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.6 t -57.33 -48.86 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.255 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -55.82 -46.09 78.18 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.024 0.44 . . . . 0.0 110.714 177.195 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.9 m -62.0 -49.62 75.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.21 -178.717 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -59.05 -43.59 91.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.667 178.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 89' ' ' VAL . 29.4 t -56.96 -48.88 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 175.87 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.33 -27.35 68.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.906 -177.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.96 -14.05 62.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 110.618 177.352 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 53.4 m -109.95 -11.1 14.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.734 -178.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 85' ' ' VAL . 59.5 t -82.86 133.08 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.111 176.691 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -158.55 162.83 37.42 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -69.39 154.68 41.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.079 0.466 . . . . 0.0 111.277 -176.142 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -73.53 74.68 1.46 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.584 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.3 p -80.83 -23.21 39.32 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.27 -19.49 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.554 -177.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 65.54 22.6 11.79 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.506 178.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -139.06 114.28 9.57 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 176.321 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.65 70.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.929 -174.218 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 82.4 m -63.05 -42.16 99.66 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.611 178.151 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -81.72 -24.72 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -62.78 -54.57 37.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.173 177.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.09 -39.88 93.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.725 178.629 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.478 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 78.1 t80 -65.39 -33.59 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.817 -178.053 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -67.81 -37.52 82.07 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.668 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.08 -44.56 91.09 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.553 177.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -66.66 -48.83 68.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.719 -0.24 . . . . 0.0 110.883 -179.379 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -60.5 -45.51 93.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -177.771 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.8 t -57.83 -44.53 86.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.091 179.9 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 23.4 t80 -75.62 -46.01 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.988 -174.075 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 113' ' ' LEU . 1.9 pp0? -69.77 -13.02 62.07 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.834 0.349 . . . . 0.0 111.562 -177.511 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -69.6 -38.04 77.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.011 0.434 . . . . 0.0 110.32 178.061 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -113.87 -26.82 7.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.436 -173.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -132.94 61.71 1.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.983 0.42 . . . . 0.0 110.935 -174.26 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 109' ' ' GLN . 56.1 tp -83.02 -31.12 27.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.994 0.426 . . . . 0.0 111.108 -178.704 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -64.69 -35.1 79.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.088 -178.848 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.4 HD13 ' HD2' ' A' ' 76' ' ' ARG . 42.3 tp -66.9 -32.82 74.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 178.33 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.437 HG23 ' C9 ' ' A' ' 201' ' ' ACD . 81.8 mt -67.87 -41.13 84.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.186 178.096 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -66.76 -40.54 88.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.809 178.561 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.05 -24.57 59.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.311 178.414 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.623 ' OG ' ' HG3' ' A' ' 71' ' ' GLN . 27.5 t -63.5 -45.1 92.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.399 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 23.9 pt -87.99 -1.65 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.201 0.524 . . . . 0.0 111.303 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -87.32 121.6 29.98 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.949 -176.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -79.27 157.0 27.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.323 176.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.782 -0.628 . . . . 0.0 109.769 178.397 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 201' ' ' ACD . . . . . 0.594 ' C1 ' HH21 ' A' ' 15' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_