data_1lbj_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1lbj _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 113.508 0.929 . . . . 10.0 113.508 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -130.76 38.24 3.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 77.95 107.26 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.138 1.375 . . . . 10.0 108.27 -169.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -51.69 -39.73 58.81 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.147 0.579 . . . . 10.0 112.11 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.27 -42.1 17.17 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.611 0.624 . . . . 10.0 112.353 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -67.34 -44.49 78.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.819 0.81 . . . . 10.0 110.315 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.37 -47.71 84.38 Favored 'General case' 0 CA--C 1.528 0.099 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -46.07 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -55.61 -50.71 69.41 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.783 -0.573 . . . . 10.0 110.396 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -55.17 -53.94 49.58 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.582 0.353 . . . . 10.0 110.093 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -49.44 -52.43 29.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.955 0.902 . . . . 10.0 110.521 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.18 -42.47 90.9 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.807 0.843 . . . . 10.0 110.229 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.42 -42.31 83.41 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.011 -0.431 . . . . 10.0 111.198 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.2 -46.7 82.64 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.716 -0.615 . . . . 10.0 109.798 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -58.82 -46.01 88.62 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 122.144 -0.347 . . . . 10.0 111.302 173.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.69 73.81 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.507 0.723 . . . . 10.0 110.47 178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.42 -48.71 66.51 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.783 0.265 . . . . 10.0 110.741 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 C-N-CA 123.439 0.543 . . . . 10.0 112.684 -173.326 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.186 0 N-CA-C 113.163 0.801 . . . . 10.0 113.163 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -131.15 40.31 3.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.689 -1.597 . . . . 10.0 106.689 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m 75.08 106.91 0.08 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.548 1.539 . . . . 10.0 108.925 -170.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.52 -32.47 62.94 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 119.315 -0.374 . . . . 10.0 111.956 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.98 -40.27 5.49 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.808 0.718 . . . . 10.0 112.907 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.92 -52.62 55.39 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.674 0.737 . . . . 10.0 110.064 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -45.88 82.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.212 1.005 . . . . 10.0 109.167 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -56.61 -51.32 69.12 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.017 0.927 . . . . 10.0 109.914 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.8 ttp-105 -56.03 -43.46 77.83 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.817 -0.552 . . . . 10.0 110.659 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mtp -56.51 -48.98 76.04 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.98 0.354 . . . . 10.0 110.571 174.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -52.28 -50.21 62.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.709 0.686 . . . . 10.0 110.465 174.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -56.59 -47.46 79.53 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 119.601 -0.238 . . . . 10.0 111.006 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.67 -47.87 83.03 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.156 0.435 . . . . 10.0 111.165 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -58.28 -51.78 68.36 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.158 -0.339 . . . . 10.0 110.32 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 ttm105 -56.91 -45.38 82.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.398 0.279 . . . . 10.0 110.311 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -59.92 -51.63 68.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.778 0.831 . . . . 10.0 111.482 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -66.24 -36.14 82.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.2 -0.6 . . . . 10.0 110.944 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.429 -0.668 . . . . 10.0 111.429 177.499 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 113.18 0.807 . . . . 10.0 113.18 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.47 16.95 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.215 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 m 68.24 108.87 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 -167.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -40.04 -40.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.472 1.509 . . . . 10.0 113.986 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.04 -44.85 2.91 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.523 1.535 . . . . 10.0 113.051 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.99 -49.28 78.3 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.804 0.802 . . . . 10.0 110.328 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.35 -37.87 87.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -61.03 -50.79 71.92 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -56.5 -47.35 79.48 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.287 -0.258 . . . . 10.0 110.533 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.5 mtp -56.41 -47.67 78.52 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.1 -0.375 . . . . 10.0 110.819 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -57.65 -49.63 75.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.959 0.504 . . . . 10.0 110.293 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.86 -48.8 74.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.377 0.671 . . . . 10.0 110.4 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.97 -49.39 78.07 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.755 0.422 . . . . 10.0 110.545 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.7 -51.25 61.15 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.2 0.6 . . . . 10.0 109.81 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 4.3 mmp_? -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.869 0.322 . . . . 10.0 111.869 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.25 -44.15 83.59 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.621 0.368 . . . . 10.0 110.674 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -65.51 -64.7 0.8 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.836 -0.431 . . . . 10.0 109.836 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.849 0 N-CA-C 111.268 -0.733 . . . . 10.0 111.268 -177.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 113.045 0.757 . . . . 10.0 113.045 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -132.91 35.47 3.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 166.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 80.24 108.47 0.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.676 1.59 . . . . 10.0 108.234 -168.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -54.79 -41.71 70.9 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.436 0.694 . . . . 10.0 111.48 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.47 19.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 123.913 0.768 . . . . 10.0 112.058 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.24 -33.77 73.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 117.65 0.725 . . . . 10.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -65.6 -33.7 76.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.773 0.715 . . . . 10.0 110.306 171.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -69.66 -45.08 69.21 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.034 -1.041 . . . . 10.0 109.412 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -54.93 -49.5 71.17 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.046 0.538 . . . . 10.0 110.643 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -54.8 -55.08 33.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.11 0.564 . . . . 10.0 109.859 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -50.96 -49.99 58.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.902 0.319 . . . . 10.0 110.702 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.46 -48.88 65.58 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.718 0.807 . . . . 10.0 110.243 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.55 -48.17 78.59 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.755 0.252 . . . . 10.0 110.619 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.57 -32.69 58.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.898 -0.573 . . . . 10.0 112.364 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -43.05 -38.32 2.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.687 0.676 . . . . 10.0 112.048 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -58.3 -27.24 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -68.59 -31.95 71.5 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.736 0.698 . . . . 10.0 110.344 174.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.876 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 174.259 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -124.22 36.89 4.52 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.953 -1.499 . . . . 10.0 106.953 170.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.02 20.26 3.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.404 1.482 . . . . 10.0 113.549 174.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.8 t80 64.35 -60.85 0.2 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.592 2.357 . . . . 10.0 111.234 -168.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.58 -42.13 10.0 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 126.678 2.085 . . . . 10.0 113.038 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.86 -39.53 83.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.124 0.962 . . . . 10.0 109.576 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -41.52 84.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.613 0.765 . . . . 10.0 109.023 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -57.92 -50.24 74.01 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.521 -0.737 . . . . 10.0 109.747 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.92 -44.85 82.85 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.027 -0.421 . . . . 10.0 110.84 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.0 tpt -57.55 -51.96 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.832 -0.542 . . . . 10.0 110.256 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.11 -45.7 79.4 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.187 -0.32 . . . . 10.0 111.208 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.71 -53.76 47.58 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.345 1.058 . . . . 10.0 109.807 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -56.16 -54.56 43.72 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.729 0.412 . . . . 10.0 110.281 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.11 -53.97 42.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.079 0.552 . . . . 10.0 110.997 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -31.96 73.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.923 -0.486 . . . . 10.0 111.215 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -43.04 93.54 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.883 0.765 . . . . 10.0 110.331 173.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -68.06 -37.04 80.82 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.214 0.605 . . . . 10.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.152 0 C-N-CA 124.283 0.944 . . . . 10.0 113.607 -175.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 112.391 0.515 . . . . 10.0 112.391 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -125.92 42.48 3.29 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.839 -1.911 . . . . 10.0 105.839 168.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.64 19.55 5.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.143 1.377 . . . . 10.0 113.075 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.6 t80 62.95 -59.4 0.14 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 128.116 2.566 . . . . 10.0 112.027 -169.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.31 -47.35 21.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.498 1.523 . . . . 10.0 112.463 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.63 -43.91 95.44 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.476 0.638 . . . . 10.0 109.692 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.63 -49.88 74.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.81 -40.29 92.17 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.193 -0.317 . . . . 10.0 110.768 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -59.47 -50.4 74.05 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.715 -0.616 . . . . 10.0 110.371 175.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.3 ttt -55.42 -51.56 66.47 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -50.35 59.65 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.212 1.005 . . . . 10.0 109.946 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.89 -51.83 66.21 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.473 0.709 . . . . 10.0 109.511 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.47 -47.52 79.02 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.034 0.134 . . . . 10.0 110.829 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.24 -57.13 13.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.855 -0.593 . . . . 10.0 110.8 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -64.52 -38.67 91.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.165 0.893 . . . . 10.0 111.608 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.75 -46.13 81.58 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.62 0.768 . . . . 10.0 111.202 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.99 -57.22 2.71 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.076 0.551 . . . . 10.0 110.55 -173.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.813 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 177.825 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.41 ' CD1' ' H ' ' A' ' 5' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 121.309 0.576 . . . . 10.0 109.848 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.41 ' H ' ' CD1' ' A' ' 4' ' ' ILE . 4.1 m-85 -113.51 16.49 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.785 1.234 . . . . 10.0 108.501 169.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 86.54 100.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.592 1.957 . . . . 10.0 107.442 -167.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -35.63 -49.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.772 1.629 . . . . 10.0 113.83 -171.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -53.73 3.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.723 1.154 . . . . 10.0 112.958 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.76 -34.89 76.35 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 118.235 1.017 . . . . 10.0 111.182 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.5 -40.01 94.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.813 0.733 . . . . 10.0 109.743 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -60.77 -48.98 79.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.532 -0.73 . . . . 10.0 110.474 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -60.2 -39.54 86.91 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.53 -0.731 . . . . 10.0 112.387 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.9 mtp -58.03 -50.71 72.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.385 0.538 . . . . 10.0 109.82 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -55.86 -47.17 77.8 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.357 -0.214 . . . . 10.0 110.959 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.03 -47.93 81.59 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.213 0.461 . . . . 10.0 110.4 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -60.15 -47.3 86.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.851 0.46 . . . . 10.0 110.278 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -48.9 72.54 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.904 0.482 . . . . 10.0 110.02 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -50.67 72.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.16 0.584 . . . . 10.0 109.691 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -44.28 68.91 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.96 0.904 . . . . 10.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -65.99 -49.5 67.58 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.833 0 C-N-CA 124.364 0.983 . . . . 10.0 111.675 178.794 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -117.04 30.14 7.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.921 -1.881 . . . . 10.0 105.921 168.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 m 67.36 89.3 0.1 Allowed 'General case' 0 C--N 1.342 0.281 0 N-CA-C 107.118 -1.438 . . . . 10.0 107.118 -167.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -31.53 -47.01 0.11 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.118 1.767 . . . . 10.0 115.34 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.14 -41.5 6.3 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.832 0.73 . . . . 10.0 113.04 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.09 -53.52 57.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.628 1.171 . . . . 10.0 110.164 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.7 -41.59 95.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -57.46 -47.49 81.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -62.34 -42.3 99.27 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.779 -0.576 . . . . 10.0 111.66 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 54.9 mtt -55.84 -48.42 75.51 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.212 0.46 . . . . 10.0 110.064 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -57.52 -48.16 80.02 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.968 0.507 . . . . 10.0 110.675 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -54.8 -50.33 68.81 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.277 0.49 . . . . 10.0 109.789 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.74 -40.64 95.81 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.315 -0.241 . . . . 10.0 110.966 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -57.13 -54.88 41.76 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.692 -0.63 . . . . 10.0 109.461 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -59.49 -30.98 68.93 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.867 -0.52 . . . . 10.0 112.172 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -35.5 60.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.822 0.737 . . . . 10.0 110.571 172.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -87.82 -53.84 4.55 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.204 0.602 . . . . 10.0 110.144 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.871 0 C-N-CA 124.435 1.017 . . . . 10.0 112.455 -174.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 113.674 0.99 . . . . 10.0 113.674 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.04 20.77 13.13 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 124.44 1.096 . . . . 10.0 108.895 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m 82.32 112.62 0.06 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.734 1.614 . . . . 10.0 107.203 -167.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -54.89 -37.4 66.26 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.673 -0.642 . . . . 10.0 111.979 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.85 -45.16 55.77 Favored Glycine 0 CA--C 1.532 1.126 0 N-CA-C 111.753 -0.539 . . . . 10.0 111.753 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.44 -41.49 80.22 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.996 -0.708 . . . . 10.0 109.419 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -41.88 74.07 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.431 0.292 . . . . 10.0 110.613 177.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.83 -44.93 76.07 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.339 -0.851 . . . . 10.0 111.53 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -55.78 -38.91 70.52 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.438 -0.789 . . . . 10.0 111.51 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.4 mtt -55.89 -44.9 78.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.675 0.67 . . . . 10.0 110.571 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -60.5 -48.29 82.41 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.13 -47.24 78.53 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.5 -52.11 65.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.457 1.103 . . . . 10.0 110.744 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.89 -39.27 93.79 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.958 0.799 . . . . 10.0 110.414 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -49.33 77.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 174.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -41.67 83.22 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 122.857 0.463 . . . . 10.0 110.481 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.1 -45.17 91.58 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.28 0 C-N-CA 123.726 0.679 . . . . 10.0 112.341 173.697 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.059 0 N-CA-C 114.042 1.127 . . . . 10.0 114.042 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -124.01 29.86 6.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.183 -1.414 . . . . 10.0 107.183 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m 65.14 99.46 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 -167.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -49.76 -40.85 42.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -170.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.7 -45.26 79.09 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 111.76 -0.536 . . . . 10.0 111.76 175.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.45 -44.44 82.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.24 -51.99 64.83 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.003 0.43 . . . . 10.0 109.844 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.68 -46.55 77.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.056 0.943 . . . . 10.0 110.126 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -63.72 -43.93 95.09 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.104 0.411 . . . . 10.0 111.575 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 57.5 ttp -56.51 -47.25 79.73 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.78 -0.575 . . . . 10.0 109.583 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.24 -45.46 87.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.555 0.342 . . . . 10.0 110.119 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.2 -51.75 65.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.597 0.759 . . . . 10.0 110.011 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.42 -47.87 80.64 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.151 0.58 . . . . 10.0 110.296 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.6 -57.78 9.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.656 . . . . 10.0 110.475 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -65.42 -37.36 86.71 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.898 0.317 . . . . 10.0 111.269 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -58.26 -45.66 87.42 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.182 0.447 . . . . 10.0 111.049 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.29 -51.13 65.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 C-N-CA 123.944 0.783 . . . . 10.0 113.207 -177.334 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 112.931 0.715 . . . . 10.0 112.931 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -124.59 33.07 5.32 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 168.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m 86.08 114.31 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.149 1.78 . . . . 10.0 109.026 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.23 -40.03 64.23 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.846 0.458 . . . . 10.0 111.836 -177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.84 -44.43 55.42 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.446 -0.662 . . . . 10.0 111.446 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.95 -36.96 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.191 -0.593 . . . . 10.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.89 -50.78 71.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.471 0.578 . . . . 10.0 109.866 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -60.54 -46.53 89.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.688 0.395 . . . . 10.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -51.58 -53.12 41.53 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.993 -0.442 . . . . 10.0 110.425 174.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -54.74 -51.29 66.11 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -51.51 -45.74 62.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.669 0.788 . . . . 10.0 111.19 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.14 -50.0 73.63 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -54.46 -34.82 62.22 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.72 -38.02 60.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.577 1.08 . . . . 10.0 112.189 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.54 -41.51 88.6 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.474 -0.766 . . . . 10.0 109.208 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -44.08 93.6 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.498 0.319 . . . . 10.0 110.317 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.31 -46.52 89.96 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 C-N-CA 123.445 0.545 . . . . 10.0 111.895 177.304 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 121.392 0.615 . . . . 10.0 112.575 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.82 22.59 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.809 -1.087 . . . . 10.0 108.505 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m 62.28 92.41 0.06 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.942 0.897 . . . . 10.0 108.745 -168.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -22.85 -55.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.209 2.204 . . . . 10.0 115.791 -170.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -46.05 1.6 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.451 1.024 . . . . 10.0 113.418 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.99 -50.36 73.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.544 0.672 . . . . 10.0 110.527 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -62.45 -44.04 97.36 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.91 -0.494 . . . . 10.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -57.25 -47.02 82.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.265 0.484 . . . . 10.0 110.483 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.3 mmm -55.88 -50.29 71.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.793 0.27 . . . . 10.0 110.81 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.33 -48.58 76.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.526 0.603 . . . . 10.0 111.046 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -56.48 -49.99 73.08 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.21 -0.306 . . . . 10.0 110.653 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.18 -50.99 69.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.964 0.505 . . . . 10.0 110.271 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -54.63 -47.07 73.93 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.596 0.759 . . . . 10.0 110.408 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -63.19 -45.23 92.71 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.965 0.348 . . . . 10.0 111.338 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -59.81 -37.97 80.65 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 122.879 0.472 . . . . 10.0 110.412 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -64.62 -57.69 8.39 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.912 0 C-N-CA 125.549 1.547 . . . . 10.0 112.523 -174.702 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -115.92 34.54 4.91 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.169 -1.049 . . . . 10.0 108.169 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.89 112.67 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.261 1.824 . . . . 10.0 109.074 -172.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -45.07 -48.42 11.86 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.581 0.752 . . . . 10.0 111.726 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.55 -43.5 45.52 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 123.502 0.572 . . . . 10.0 112.058 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.15 -40.14 71.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.447 0.623 . . . . 10.0 110.718 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.01 -49.25 77.49 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.271 0.487 . . . . 10.0 109.721 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -61.21 -48.16 82.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.934 -0.478 . . . . 10.0 109.867 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -48.3 -53.32 17.74 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.895 0.878 . . . . 10.0 110.323 171.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -54.12 -49.24 69.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.827 0.451 . . . . 10.0 110.302 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -52.52 -49.23 65.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.408 0.549 . . . . 10.0 110.594 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.78 -47.8 73.5 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.493 0.588 . . . . 10.0 110.977 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -56.26 -47.52 78.39 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.119 0.418 . . . . 10.0 110.625 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.0 -48.92 77.31 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.562 -0.256 . . . . 10.0 111.088 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -59.45 -44.85 92.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.425 0.557 . . . . 10.0 110.715 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -57.22 -49.74 75.04 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.894 0.478 . . . . 10.0 110.946 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -70.12 -40.53 74.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.201 -0.6 . . . . 10.0 111.172 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.805 0 C-N-CA 124.722 1.153 . . . . 10.0 112.382 -174.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.281 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -127.87 33.46 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.71 -1.589 . . . . 10.0 106.71 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m 62.13 99.14 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.794 1.237 . . . . 10.0 109.304 -168.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -44.83 -43.66 8.9 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -169.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -51.14 40.65 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.692 -0.563 . . . . 10.0 111.692 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.31 -47.73 78.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.3 -54.04 42.11 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.109 0.48 . . . . 10.0 110.35 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.37 77.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.491 0.716 . . . . 10.0 109.48 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -58.33 -35.91 72.61 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.649 -0.657 . . . . 10.0 111.949 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.8 tpp -62.29 -40.3 95.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.117 0.872 . . . . 10.0 110.165 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.85 -50.08 69.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.14 0.882 . . . . 10.0 109.896 172.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.24 -45.36 84.01 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.646 -0.131 . . . . 10.0 110.646 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -55.2 35.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.155 0.982 . . . . 10.0 109.612 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -61.93 -38.2 87.55 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.004 -0.435 . . . . 10.0 111.147 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -59.76 -48.8 80.23 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.532 0.605 . . . . 10.0 110.853 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -58.46 -42.19 86.88 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 122.067 -0.395 . . . . 10.0 110.901 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -58.27 -50.18 74.52 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.109 0.564 . . . . 10.0 109.773 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 C-N-CA 124.37 0.986 . . . . 10.0 112.215 -178.094 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 112.393 0.516 . . . . 10.0 112.393 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -123.7 40.81 3.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 169.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m 61.86 11.51 4.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.675 1.19 . . . . 10.0 112.686 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 65.3 -57.02 0.3 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.455 2.302 . . . . 10.0 111.54 -168.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.64 -47.73 8.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.499 1.523 . . . . 10.0 112.613 -178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -64.9 -39.58 93.75 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 117.816 0.808 . . . . 10.0 110.139 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.21 -47.21 77.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.85 -39.75 95.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.84 -0.537 . . . . 10.0 110.865 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -58.11 -46.59 85.31 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.81 -0.557 . . . . 10.0 110.291 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.21 -50.35 73.13 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.952 -0.468 . . . . 10.0 110.458 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.9 -47.81 70.77 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.91 -0.494 . . . . 10.0 110.839 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.95 -47.62 77.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.323 0.649 . . . . 10.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -54.29 -50.75 66.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.021 0.528 . . . . 10.0 109.9 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -54.81 -52.05 63.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.71 0.232 . . . . 10.0 111.025 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -54.32 -49.61 69.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.767 0.427 . . . . 10.0 110.427 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -56.81 -49.78 74.34 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 123.718 0.807 . . . . 10.0 110.421 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.3 -37.49 85.74 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.27 -0.269 . . . . 10.0 111.199 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 173.506 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 N-CA-C 113.997 1.11 . . . . 10.0 113.997 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -130.1 36.03 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 168.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.41 110.64 0.06 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.67 1.588 . . . . 10.0 108.927 -171.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -53.53 -38.66 63.98 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.267 0.627 . . . . 10.0 111.527 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.02 -42.45 81.01 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.302 0.953 . . . . 10.0 112.338 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.59 -44.4 90.76 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.158 0.979 . . . . 10.0 109.548 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.72 -48.29 72.7 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 172.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.06 -39.99 91.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.34 0.518 . . . . 10.0 110.704 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.46 -55.78 29.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.16 -0.337 . . . . 10.0 110.617 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.7 ptm -64.35 -36.36 83.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.509 -0.876 . . . . 10.0 110.861 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -57.54 -48.39 79.43 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.76 0.824 . . . . 10.0 110.144 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -57.28 -49.92 74.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -57.11 -50.1 73.85 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.467 0.576 . . . . 10.0 110.981 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -53.41 -47.67 69.36 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.002 1.321 . . . . 10.0 110.21 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -64.12 -53.92 42.06 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -52.55 -43.66 65.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.906 1.282 . . . . 10.0 112.227 -169.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -56.45 -24.41 45.38 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.689 0.626 . . . . 10.0 112.689 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 110.475 -1.05 . . . . 10.0 110.475 171.866 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 121.121 0.486 . . . . 10.0 111.692 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.27 27.57 7.48 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.542 -1.281 . . . . 10.0 107.542 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 75.99 107.33 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.301 -1.74 . . . . 10.0 106.301 -166.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.38 -44.24 24.03 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.78 -41.82 7.39 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.997 0.808 . . . . 10.0 112.628 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.11 -37.85 72.35 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.849 0.825 . . . . 10.0 111.402 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.69 -45.28 87.29 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -49.5 76.93 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -50.21 -48.36 54.36 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.333 0.653 . . . . 10.0 110.587 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.7 ttt -56.88 -47.1 81.27 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.06 0.391 . . . . 10.0 110.861 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -55.14 -48.48 73.63 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.867 -0.521 . . . . 10.0 110.566 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -60.48 -40.21 90.48 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.998 -0.439 . . . . 10.0 111.128 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.17 -50.79 72.3 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.262 0.483 . . . . 10.0 109.872 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -53.71 -51.41 63.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.641 0.376 . . . . 10.0 110.209 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -55.45 -49.41 72.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.947 0.499 . . . . 10.0 110.555 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -56.09 -50.0 72.26 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.876 0.87 . . . . 10.0 111.143 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -63.12 -38.61 91.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.724 0.238 . . . . 10.0 111.056 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 175.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.146 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -123.21 24.25 8.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.119 1.367 . . . . 10.0 107.485 168.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m 81.35 108.67 0.07 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.69 -1.596 . . . . 10.0 106.69 -167.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -53.4 -35.47 60.42 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 119.314 0.961 . . . . 10.0 112.142 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.3 -41.4 5.06 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.058 0.837 . . . . 10.0 112.901 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.22 -53.07 61.55 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.612 0.706 . . . . 10.0 109.616 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -36.61 80.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 10.0 109.989 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -66.03 -48.39 71.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.474 -0.766 . . . . 10.0 110.137 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -56.82 -49.05 76.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.38 0.672 . . . . 10.0 109.522 174.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.1 ttm -55.19 -49.7 71.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.512 0.325 . . . . 10.0 110.571 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -56.72 -47.95 78.81 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.015 0.37 . . . . 10.0 111.14 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -54.34 -51.91 63.23 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.174 0.443 . . . . 10.0 110.803 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -62.43 -46.17 89.77 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.18 -0.325 . . . . 10.0 110.526 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -54.36 -48.89 70.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.326 0.65 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -70.37 -39.65 74.46 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 118.197 0.453 . . . . 10.0 111.793 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.61 -46.64 73.86 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.854 0.462 . . . . 10.0 110.695 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -72.3 -59.73 2.59 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.537 0.684 . . . . 10.0 110.059 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 C-N-CA 125.431 1.491 . . . . 10.0 111.607 -173.181 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.082 0 N-CA-C 113.627 0.973 . . . . 10.0 113.627 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -115.97 24.37 11.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.274 1.03 . . . . 10.0 108.35 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m 78.93 111.07 0.07 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -166.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -49.37 -42.31 41.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.665 0.745 . . . . 10.0 111.191 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.44 -37.7 12.75 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 126.029 1.776 . . . . 10.0 113.652 173.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.44 -51.95 67.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 117.993 0.896 . . . . 10.0 108.85 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 mt -62.15 -33.97 75.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.549 -0.167 . . . . 10.0 110.549 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.24 -47.54 81.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.042 -0.663 . . . . 10.0 109.257 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -58.06 -44.91 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.834 -0.542 . . . . 10.0 111.113 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 93.9 mmm -54.18 -45.2 72.05 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.263 0.483 . . . . 10.0 110.148 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.53 -40.94 88.84 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.317 0.508 . . . . 10.0 111.524 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -55.0 -48.95 72.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.69 0.677 . . . . 10.0 110.206 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -58.58 -47.23 84.96 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 117.916 0.325 . . . . 10.0 111.147 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.47 -51.57 62.31 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.235 0.614 . . . . 10.0 109.983 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -60.81 -44.28 97.09 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 110.542 -0.17 . . . . 10.0 110.542 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -42.63 85.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.838 0.455 . . . . 10.0 110.399 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -66.92 -48.4 68.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.428 0.691 . . . . 10.0 110.181 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 C-N-CA 124.343 0.973 . . . . 10.0 111.13 178.849 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -125.84 32.45 5.27 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 170.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 45.8 26.7 0.39 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.143 1.777 . . . . 10.0 112.831 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.5 t80 62.99 -59.58 0.14 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.872 2.469 . . . . 10.0 111.654 -169.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -46.48 18.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 126.131 1.824 . . . . 10.0 112.854 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.94 -26.69 60.64 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.407 1.103 . . . . 10.0 110.775 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.46 -49.34 75.8 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 107.746 -1.205 . . . . 10.0 107.746 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.41 -48.03 77.79 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -54.79 -52.79 61.52 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.895 -0.503 . . . . 10.0 110.756 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -55.26 -49.67 71.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.679 0.392 . . . . 10.0 110.085 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -54.06 -49.49 68.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.028 0.931 . . . . 10.0 110.294 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -59.69 -47.51 85.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.533 0.733 . . . . 10.0 110.323 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.83 -46.3 84.91 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -58.17 -46.08 86.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.118 0.567 . . . . 10.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -54.32 48.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.362 0.528 . . . . 10.0 109.652 172.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.45 -43.8 68.36 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.008 0.923 . . . . 10.0 112.099 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -78.85 -45.59 20.43 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.803 0.274 . . . . 10.0 110.995 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.797 0 C-N-CA 124.45 1.024 . . . . 10.0 112.422 -176.022 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 N-CA-C 113.394 0.886 . . . . 10.0 113.394 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -118.84 35.61 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.711 -1.588 . . . . 10.0 106.711 172.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m 57.39 65.62 1.32 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 -168.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -2.96 -60.15 0.0 OUTLIER 'General case' 0 C--N 1.342 0.244 0 C-N-CA 131.071 3.749 . . . . 10.0 115.942 -178.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.22 -40.62 1.9 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.171 1.367 . . . . 10.0 112.922 177.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -51.3 -38.52 53.35 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.774 0.787 . . . . 10.0 112.507 177.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.75 -38.92 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.918 0.781 . . . . 10.0 110.657 177.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -65.81 -46.24 79.34 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 176.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -48.74 73.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.311 0.244 . . . . 10.0 110.943 176.467 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.7 ttp -54.1 -53.45 53.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.462 0.705 . . . . 10.0 109.557 177.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.28 -45.23 76.18 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.575 -0.25 . . . . 10.0 111.371 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.85 -50.81 71.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.231 0.469 . . . . 10.0 110.555 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -58.98 -49.97 75.87 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.035 -0.415 . . . . 10.0 110.627 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -56.94 -47.07 81.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.492 0.317 . . . . 10.0 110.715 178.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -56.88 -50.49 72.33 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.169 0.587 . . . . 10.0 109.703 176.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -57.85 -46.73 84.36 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.625 -0.672 . . . . 10.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.23 -42.69 54.83 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.582 0.586 . . . . 10.0 112.582 -174.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 C-N-CA 123.988 0.804 . . . . 10.0 113.109 -169.368 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.47 26.66 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 106.122 -1.807 . . . . 10.0 106.122 168.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m 70.49 100.55 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.227 1.411 . . . . 10.0 107.388 -166.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -48.33 -28.95 3.46 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -176.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.94 -39.68 5.15 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.205 0.907 . . . . 10.0 112.967 169.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.05 -49.83 70.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.964 0.906 . . . . 10.0 110.111 174.083 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.79 -36.93 76.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.016 -0.516 . . . . 10.0 110.29 -178.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -54.08 -50.93 65.68 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.261 0.937 . . . . 10.0 109.984 169.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -48.03 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.916 -0.49 . . . . 10.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.5 tpt -55.29 -49.54 71.83 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.592 0.357 . . . . 10.0 110.324 177.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.55 -44.74 73.14 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.798 0.839 . . . . 10.0 110.032 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.88 -52.92 63.67 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.838 0.745 . . . . 10.0 111.247 178.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -62.69 -37.94 88.43 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 119.359 -0.937 . . . . 10.0 111.417 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.89 -47.59 85.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.218 0.463 . . . . 10.0 110.091 177.083 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.87 -51.77 64.9 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.929 0.892 . . . . 10.0 108.7 175.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.09 -40.52 85.52 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 178.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.59 -40.72 92.77 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.57 -0.707 . . . . 10.0 110.105 174.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.097 0 C-N-CA 124.157 0.884 . . . . 10.0 112.112 175.935 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 112.795 0.665 . . . . 10.0 112.795 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -117.79 23.38 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.631 1.172 . . . . 10.0 108.533 175.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 93.18 -17.72 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.543 2.337 . . . . 10.0 110.801 -169.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 t80 73.74 -49.91 0.69 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 126.805 2.042 . . . . 10.0 113.089 176.145 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.95 -49.75 22.67 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.494 0.568 . . . . 10.0 111.721 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -40.56 95.27 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.112 -0.64 . . . . 10.0 111.179 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.32 -45.75 89.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -60.19 -38.6 83.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.228 -0.295 . . . . 10.0 111.626 174.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -65.35 -48.1 74.14 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.314 -0.866 . . . . 10.0 111.335 176.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.6 -43.77 84.95 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.226 0.466 . . . . 10.0 110.396 176.15 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.69 -48.95 76.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.373 1.069 . . . . 10.0 110.463 173.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -57.22 -50.71 72.02 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -57.16 -48.76 77.9 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.138 0.575 . . . . 10.0 110.401 178.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -54.56 -53.21 57.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.603 0.761 . . . . 10.0 109.91 178.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -57.96 -48.26 80.5 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.518 0.327 . . . . 10.0 110.711 178.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -54.8 -52.15 63.54 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.387 0.675 . . . . 10.0 111.305 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -67.28 -36.54 81.76 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 117.648 0.204 . . . . 10.0 111.208 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.421 -0.672 . . . . 10.0 111.421 176.149 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.327 0 N-CA-C 112.869 0.692 . . . . 10.0 112.869 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -123.9 36.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.666 -1.605 . . . . 10.0 106.666 169.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.2 m 59.74 70.88 0.61 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 -169.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -12.24 -62.09 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 129.47 3.108 . . . . 10.0 115.445 -175.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.07 -46.4 5.19 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.427 1.013 . . . . 10.0 112.375 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -62.61 -44.46 96.24 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.374 0.67 . . . . 10.0 111.187 179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.65 -45.28 90.87 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 177.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -42.83 94.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.983 0.513 . . . . 10.0 109.946 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -64.81 -47.28 78.6 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.699 -0.626 . . . . 10.0 110.968 175.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -51.35 -45.76 62.45 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.065 0.546 . . . . 10.0 109.895 174.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.75 -47.75 70.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.999 -0.524 . . . . 10.0 110.772 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.86 -46.51 87.56 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 119.172 0.896 . . . . 10.0 110.878 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.19 -44.53 79.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.325 0.25 . . . . 10.0 110.627 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.92 -55.81 30.33 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 176.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -37.67 63.33 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.579 0.752 . . . . 10.0 111.774 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -35.2 46.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.608 0.763 . . . . 10.0 111.427 178.072 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -96.17 -53.05 3.77 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.38 0.536 . . . . 10.0 110.594 175.248 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 -179.086 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 120.433 0.158 . . . . 10.0 111.153 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.9 t -88.78 124.8 64.69 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 106.424 -1.695 . . . . 10.0 106.424 169.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -79.08 57.15 6.34 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.313 2.009 . . . . 10.0 110.344 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -56.07 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 C-N-CA 126.227 1.811 . . . . 10.0 113.508 -169.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -130.76 38.24 3.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 77.95 107.26 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.138 1.375 . . . . 10.0 108.27 -169.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -51.69 -39.73 58.81 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.147 0.579 . . . . 10.0 112.11 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.27 -42.1 17.17 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.611 0.624 . . . . 10.0 112.353 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -67.34 -44.49 78.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.819 0.81 . . . . 10.0 110.315 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.37 -47.71 84.38 Favored 'General case' 0 CA--C 1.528 0.099 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -46.07 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -55.61 -50.71 69.41 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.783 -0.573 . . . . 10.0 110.396 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -55.17 -53.94 49.58 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.582 0.353 . . . . 10.0 110.093 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -49.44 -52.43 29.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.955 0.902 . . . . 10.0 110.521 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.18 -42.47 90.9 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.807 0.843 . . . . 10.0 110.229 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.42 -42.31 83.41 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.011 -0.431 . . . . 10.0 111.198 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.2 -46.7 82.64 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.716 -0.615 . . . . 10.0 109.798 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -58.82 -46.01 88.62 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 122.144 -0.347 . . . . 10.0 111.302 173.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.69 73.81 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.507 0.723 . . . . 10.0 110.47 178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.42 -48.71 66.51 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.783 0.265 . . . . 10.0 110.741 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.96 -50.27 61.94 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.439 0.543 . . . . 10.0 112.684 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.202 -1.38 . . . . 10.0 110.093 -177.839 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.77 121.88 14.04 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 106.116 -1.809 . . . . 10.0 106.116 172.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -80.53 55.05 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.187 1.925 . . . . 10.0 110.827 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.08 -54.19 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 125.311 1.444 . . . . 10.0 113.163 -169.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -131.15 40.31 3.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.689 -1.597 . . . . 10.0 106.689 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m 75.08 106.91 0.08 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.548 1.539 . . . . 10.0 108.925 -170.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.52 -32.47 62.94 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 119.315 -0.374 . . . . 10.0 111.956 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.98 -40.27 5.49 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.808 0.718 . . . . 10.0 112.907 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.92 -52.62 55.39 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.674 0.737 . . . . 10.0 110.064 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -45.88 82.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.212 1.005 . . . . 10.0 109.167 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -56.61 -51.32 69.12 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.017 0.927 . . . . 10.0 109.914 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.8 ttp-105 -56.03 -43.46 77.83 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.817 -0.552 . . . . 10.0 110.659 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mtp -56.51 -48.98 76.04 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.98 0.354 . . . . 10.0 110.571 174.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -52.28 -50.21 62.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.709 0.686 . . . . 10.0 110.465 174.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -56.59 -47.46 79.53 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 119.601 -0.238 . . . . 10.0 111.006 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.67 -47.87 83.03 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.156 0.435 . . . . 10.0 111.165 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -58.28 -51.78 68.36 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.158 -0.339 . . . . 10.0 110.32 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 ttm105 -56.91 -45.38 82.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.398 0.279 . . . . 10.0 110.311 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -59.92 -51.63 68.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.778 0.831 . . . . 10.0 111.482 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -66.24 -36.14 82.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.2 -0.6 . . . . 10.0 110.944 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.12 -56.39 24.17 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.429 -0.668 . . . . 10.0 111.429 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--O 1.25 1.127 0 C-N-CA 126.354 1.862 . . . . 10.0 113.429 -177.309 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.9 t80 . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 p -167.0 119.62 0.77 Allowed Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 124.7 1.2 . . . . 10.0 108.031 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.23 59.57 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.646 2.231 . . . . 10.0 109.612 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.37 -55.73 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 C-N-CA 126.078 1.751 . . . . 10.0 113.18 -169.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.47 16.95 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.215 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 m 68.24 108.87 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 -167.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -40.04 -40.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.472 1.509 . . . . 10.0 113.986 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.04 -44.85 2.91 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.523 1.535 . . . . 10.0 113.051 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.99 -49.28 78.3 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.804 0.802 . . . . 10.0 110.328 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.35 -37.87 87.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -61.03 -50.79 71.92 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -56.5 -47.35 79.48 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.287 -0.258 . . . . 10.0 110.533 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.5 mtp -56.41 -47.67 78.52 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.1 -0.375 . . . . 10.0 110.819 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -57.65 -49.63 75.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.959 0.504 . . . . 10.0 110.293 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.86 -48.8 74.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.377 0.671 . . . . 10.0 110.4 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.97 -49.39 78.07 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.755 0.422 . . . . 10.0 110.545 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.7 -51.25 61.15 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.2 0.6 . . . . 10.0 109.81 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 4.3 mmp_? -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.869 0.322 . . . . 10.0 111.869 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.25 -44.15 83.59 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.621 0.368 . . . . 10.0 110.674 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -65.51 -64.7 0.8 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.836 -0.431 . . . . 10.0 109.836 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.27 52.57 4.33 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.268 -0.733 . . . . 10.0 111.268 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 . . . . . 0 C--O 1.252 1.225 0 CA-C-O 116.487 -1.72 . . . . 10.0 110.992 -174.563 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 t 55.84 74.16 0.74 Allowed Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 124.723 1.209 . . . . 10.0 110.898 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.12 56.44 6.03 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.636 2.224 . . . . 10.0 112.306 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -44.29 -52.87 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 125.154 1.382 . . . . 10.0 113.045 -172.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -132.91 35.47 3.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 166.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 80.24 108.47 0.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.676 1.59 . . . . 10.0 108.234 -168.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -54.79 -41.71 70.9 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.436 0.694 . . . . 10.0 111.48 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.47 19.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 123.913 0.768 . . . . 10.0 112.058 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.24 -33.77 73.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 117.65 0.725 . . . . 10.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -65.6 -33.7 76.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.773 0.715 . . . . 10.0 110.306 171.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -69.66 -45.08 69.21 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.034 -1.041 . . . . 10.0 109.412 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -54.93 -49.5 71.17 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.046 0.538 . . . . 10.0 110.643 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -54.8 -55.08 33.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.11 0.564 . . . . 10.0 109.859 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -50.96 -49.99 58.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.902 0.319 . . . . 10.0 110.702 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.46 -48.88 65.58 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.718 0.807 . . . . 10.0 110.243 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.55 -48.17 78.59 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.755 0.252 . . . . 10.0 110.619 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.57 -32.69 58.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.898 -0.573 . . . . 10.0 112.364 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -43.05 -38.32 2.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.687 0.676 . . . . 10.0 112.048 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -58.3 -27.24 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -68.59 -31.95 71.5 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.736 0.698 . . . . 10.0 110.344 174.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.31 -41.95 29.53 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 116.731 -1.604 . . . . 10.0 111.541 177.792 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.576 -0.157 . . . . 10.0 110.576 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.26 134.47 17.71 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 106.206 -1.775 . . . . 10.0 106.206 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.67 53.26 4.28 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.86 2.373 . . . . 10.0 111.972 -173.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.28 -55.01 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 124.935 1.294 . . . . 10.0 112.653 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -124.22 36.89 4.52 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.953 -1.499 . . . . 10.0 106.953 170.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.02 20.26 3.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.404 1.482 . . . . 10.0 113.549 174.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.8 t80 64.35 -60.85 0.2 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.592 2.357 . . . . 10.0 111.234 -168.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.58 -42.13 10.0 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 126.678 2.085 . . . . 10.0 113.038 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.86 -39.53 83.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.124 0.962 . . . . 10.0 109.576 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -41.52 84.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.613 0.765 . . . . 10.0 109.023 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -57.92 -50.24 74.01 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.521 -0.737 . . . . 10.0 109.747 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.92 -44.85 82.85 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.027 -0.421 . . . . 10.0 110.84 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.0 tpt -57.55 -51.96 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.832 -0.542 . . . . 10.0 110.256 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.11 -45.7 79.4 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.187 -0.32 . . . . 10.0 111.208 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.71 -53.76 47.58 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.345 1.058 . . . . 10.0 109.807 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -56.16 -54.56 43.72 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.729 0.412 . . . . 10.0 110.281 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.11 -53.97 42.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.079 0.552 . . . . 10.0 110.997 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -31.96 73.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.923 -0.486 . . . . 10.0 111.215 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -43.04 93.54 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.883 0.765 . . . . 10.0 110.331 173.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -68.06 -37.04 80.82 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.214 0.605 . . . . 10.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.82 58.86 1.74 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.283 0.944 . . . . 10.0 113.607 -175.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.128 0 C-N-CA 126.076 1.75 . . . . 10.0 108.105 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.717 -0.105 . . . . 10.0 110.717 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.61 120.99 83.12 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 107.442 -1.318 . . . . 10.0 107.442 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -80.5 48.78 2.99 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.497 2.131 . . . . 10.0 112.709 -168.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -47.58 -53.44 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 123.818 0.847 . . . . 10.0 112.391 -176.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -125.92 42.48 3.29 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.839 -1.911 . . . . 10.0 105.839 168.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.64 19.55 5.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.143 1.377 . . . . 10.0 113.075 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.6 t80 62.95 -59.4 0.14 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 128.116 2.566 . . . . 10.0 112.027 -169.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.31 -47.35 21.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.498 1.523 . . . . 10.0 112.463 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.63 -43.91 95.44 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.476 0.638 . . . . 10.0 109.692 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.63 -49.88 74.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.81 -40.29 92.17 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.193 -0.317 . . . . 10.0 110.768 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -59.47 -50.4 74.05 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.715 -0.616 . . . . 10.0 110.371 175.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.3 ttt -55.42 -51.56 66.47 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -50.35 59.65 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.212 1.005 . . . . 10.0 109.946 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.89 -51.83 66.21 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.473 0.709 . . . . 10.0 109.511 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.47 -47.52 79.02 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.034 0.134 . . . . 10.0 110.829 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.24 -57.13 13.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.855 -0.593 . . . . 10.0 110.8 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -64.52 -38.67 91.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.165 0.893 . . . . 10.0 111.608 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.75 -46.13 81.58 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.62 0.768 . . . . 10.0 111.202 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.99 -57.22 2.71 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.076 0.551 . . . . 10.0 110.55 -173.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.52 61.84 3.54 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.353 -1.308 . . . . 10.0 110.506 -179.847 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 t80 . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.77 118.23 43.23 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -78.53 59.63 7.25 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.496 2.131 . . . . 10.0 110.678 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.41 ' CD1' ' H ' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -70.59 -69.71 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.172 0 CA-C-O 121.309 0.576 . . . . 10.0 109.848 178.444 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.41 ' H ' ' CD1' ' A' ' 4' ' ' ILE . 4.1 m-85 -113.51 16.49 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.785 1.234 . . . . 10.0 108.501 169.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 86.54 100.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.592 1.957 . . . . 10.0 107.442 -167.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -35.63 -49.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.772 1.629 . . . . 10.0 113.83 -171.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -53.73 3.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.723 1.154 . . . . 10.0 112.958 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.76 -34.89 76.35 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 118.235 1.017 . . . . 10.0 111.182 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.5 -40.01 94.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.813 0.733 . . . . 10.0 109.743 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -60.77 -48.98 79.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.532 -0.73 . . . . 10.0 110.474 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -60.2 -39.54 86.91 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.53 -0.731 . . . . 10.0 112.387 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.9 mtp -58.03 -50.71 72.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.385 0.538 . . . . 10.0 109.82 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -55.86 -47.17 77.8 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.357 -0.214 . . . . 10.0 110.959 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.03 -47.93 81.59 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.213 0.461 . . . . 10.0 110.4 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -60.15 -47.3 86.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.851 0.46 . . . . 10.0 110.278 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -48.9 72.54 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.904 0.482 . . . . 10.0 110.02 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -50.67 72.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.16 0.584 . . . . 10.0 109.691 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -44.28 68.91 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.96 0.904 . . . . 10.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -65.99 -49.5 67.58 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.15 61.73 2.2 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.364 0.983 . . . . 10.0 111.675 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 116.965 -1.493 . . . . 10.0 110.603 175.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.8 t80 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 110.669 -0.123 . . . . 10.0 110.669 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.3 t -142.32 132.1 12.32 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 107.331 -1.359 . . . . 10.0 107.331 174.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.54 60.93 8.01 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.618 2.212 . . . . 10.0 110.186 176.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -77.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 172.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -117.04 30.14 7.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.921 -1.881 . . . . 10.0 105.921 168.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 m 67.36 89.3 0.1 Allowed 'General case' 0 C--N 1.342 0.281 0 N-CA-C 107.118 -1.438 . . . . 10.0 107.118 -167.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -31.53 -47.01 0.11 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.118 1.767 . . . . 10.0 115.34 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.14 -41.5 6.3 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.832 0.73 . . . . 10.0 113.04 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.09 -53.52 57.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.628 1.171 . . . . 10.0 110.164 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.7 -41.59 95.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -57.46 -47.49 81.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -62.34 -42.3 99.27 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.779 -0.576 . . . . 10.0 111.66 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 54.9 mtt -55.84 -48.42 75.51 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.212 0.46 . . . . 10.0 110.064 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -57.52 -48.16 80.02 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.968 0.507 . . . . 10.0 110.675 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -54.8 -50.33 68.81 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.277 0.49 . . . . 10.0 109.789 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.74 -40.64 95.81 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.315 -0.241 . . . . 10.0 110.966 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -57.13 -54.88 41.76 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.692 -0.63 . . . . 10.0 109.461 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -59.49 -30.98 68.93 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.867 -0.52 . . . . 10.0 112.172 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -35.5 60.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.822 0.737 . . . . 10.0 110.571 172.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -87.82 -53.84 4.55 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.204 0.602 . . . . 10.0 110.144 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.12 -45.7 86.94 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.435 1.017 . . . . 10.0 112.455 -174.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 116.229 -1.843 . . . . 10.0 111.052 175.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.4 p90 . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 120.325 0.107 . . . . 10.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 m -97.32 115.69 65.78 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 170.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.61 53.53 4.81 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.346 2.031 . . . . 10.0 111.023 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.51 -47.01 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.315 1.046 . . . . 10.0 113.674 -169.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.04 20.77 13.13 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 124.44 1.096 . . . . 10.0 108.895 172.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m 82.32 112.62 0.06 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.734 1.614 . . . . 10.0 107.203 -167.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -54.89 -37.4 66.26 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.673 -0.642 . . . . 10.0 111.979 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.85 -45.16 55.77 Favored Glycine 0 CA--C 1.532 1.126 0 N-CA-C 111.753 -0.539 . . . . 10.0 111.753 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.44 -41.49 80.22 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.996 -0.708 . . . . 10.0 109.419 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -41.88 74.07 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.431 0.292 . . . . 10.0 110.613 177.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.83 -44.93 76.07 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.339 -0.851 . . . . 10.0 111.53 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -55.78 -38.91 70.52 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.438 -0.789 . . . . 10.0 111.51 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.4 mtt -55.89 -44.9 78.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.675 0.67 . . . . 10.0 110.571 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -60.5 -48.29 82.41 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.13 -47.24 78.53 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.5 -52.11 65.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.457 1.103 . . . . 10.0 110.744 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.89 -39.27 93.79 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.958 0.799 . . . . 10.0 110.414 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -49.33 77.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 174.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -41.67 83.22 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 122.857 0.463 . . . . 10.0 110.481 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.1 -45.17 91.58 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.64 50.38 1.77 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.726 0.679 . . . . 10.0 112.341 173.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.112 -1.423 . . . . 10.0 111.34 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.6 -0.148 . . . . 10.0 110.6 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.0 t -139.82 133.34 15.43 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 106.407 -1.701 . . . . 10.0 106.407 172.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -76.41 62.95 7.1 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.831 2.354 . . . . 10.0 109.032 174.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -56.13 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 125.891 1.676 . . . . 10.0 114.042 -168.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -124.01 29.86 6.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.183 -1.414 . . . . 10.0 107.183 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m 65.14 99.46 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 -167.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -49.76 -40.85 42.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -170.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.7 -45.26 79.09 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 111.76 -0.536 . . . . 10.0 111.76 175.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.45 -44.44 82.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.24 -51.99 64.83 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.003 0.43 . . . . 10.0 109.844 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.68 -46.55 77.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.056 0.943 . . . . 10.0 110.126 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -63.72 -43.93 95.09 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.104 0.411 . . . . 10.0 111.575 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 57.5 ttp -56.51 -47.25 79.73 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.78 -0.575 . . . . 10.0 109.583 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.24 -45.46 87.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.555 0.342 . . . . 10.0 110.119 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.2 -51.75 65.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.597 0.759 . . . . 10.0 110.011 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.42 -47.87 80.64 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.151 0.58 . . . . 10.0 110.296 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.6 -57.78 9.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.656 . . . . 10.0 110.475 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -65.42 -37.36 86.71 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.898 0.317 . . . . 10.0 111.269 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -58.26 -45.66 87.42 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.182 0.447 . . . . 10.0 111.049 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.29 -51.13 65.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.26 52.87 3.05 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 123.944 0.783 . . . . 10.0 113.207 -177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 117.163 -1.399 . . . . 10.0 109.103 169.84 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 p90 . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 120.331 0.11 . . . . 10.0 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -118.56 112.9 36.86 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 107.579 -1.267 . . . . 10.0 107.579 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -82.98 53.06 4.22 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.124 1.883 . . . . 10.0 111.555 -171.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.87 -54.1 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.817 1.247 . . . . 10.0 112.931 -170.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -124.59 33.07 5.32 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 168.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m 86.08 114.31 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.149 1.78 . . . . 10.0 109.026 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.23 -40.03 64.23 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.846 0.458 . . . . 10.0 111.836 -177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.84 -44.43 55.42 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.446 -0.662 . . . . 10.0 111.446 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.95 -36.96 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.191 -0.593 . . . . 10.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.89 -50.78 71.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.471 0.578 . . . . 10.0 109.866 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -60.54 -46.53 89.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.688 0.395 . . . . 10.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -51.58 -53.12 41.53 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.993 -0.442 . . . . 10.0 110.425 174.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -54.74 -51.29 66.11 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -51.51 -45.74 62.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.669 0.788 . . . . 10.0 111.19 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.14 -50.0 73.63 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -54.46 -34.82 62.22 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.72 -38.02 60.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.577 1.08 . . . . 10.0 112.189 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.54 -41.51 88.6 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.474 -0.766 . . . . 10.0 109.208 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -44.08 93.6 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.498 0.319 . . . . 10.0 110.317 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.31 -46.52 89.96 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -45.19 83.74 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.445 0.545 . . . . 10.0 111.895 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.369 -1.301 . . . . 10.0 110.546 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.0 t80 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.85 108.25 7.64 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 124.168 0.987 . . . . 10.0 108.653 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -78.84 59.71 7.43 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.523 2.149 . . . . 10.0 110.212 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -56.42 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 126.118 1.767 . . . . 10.0 112.575 -171.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.82 22.59 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.809 -1.087 . . . . 10.0 108.505 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m 62.28 92.41 0.06 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.942 0.897 . . . . 10.0 108.745 -168.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -22.85 -55.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.209 2.204 . . . . 10.0 115.791 -170.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -46.05 1.6 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.451 1.024 . . . . 10.0 113.418 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.99 -50.36 73.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.544 0.672 . . . . 10.0 110.527 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -62.45 -44.04 97.36 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.91 -0.494 . . . . 10.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -57.25 -47.02 82.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.265 0.484 . . . . 10.0 110.483 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.3 mmm -55.88 -50.29 71.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.793 0.27 . . . . 10.0 110.81 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.33 -48.58 76.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.526 0.603 . . . . 10.0 111.046 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -56.48 -49.99 73.08 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.21 -0.306 . . . . 10.0 110.653 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.18 -50.99 69.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.964 0.505 . . . . 10.0 110.271 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -54.63 -47.07 73.93 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.596 0.759 . . . . 10.0 110.408 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -63.19 -45.23 92.71 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.965 0.348 . . . . 10.0 111.338 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -59.81 -37.97 80.65 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 122.879 0.472 . . . . 10.0 110.412 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -64.62 -57.69 8.39 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.23 61.56 2.66 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.549 1.547 . . . . 10.0 112.523 -174.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.117 -1.42 . . . . 10.0 110.527 175.207 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 t80 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 m -136.42 109.86 9.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 123.852 0.861 . . . . 10.0 109.095 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -80.76 108.59 2.12 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.327 2.018 . . . . 10.0 109.013 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.23 -72.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 124.151 0.98 . . . . 10.0 109.82 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -115.92 34.54 4.91 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.169 -1.049 . . . . 10.0 108.169 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.89 112.67 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.261 1.824 . . . . 10.0 109.074 -172.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -45.07 -48.42 11.86 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.581 0.752 . . . . 10.0 111.726 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.55 -43.5 45.52 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 123.502 0.572 . . . . 10.0 112.058 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.15 -40.14 71.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.447 0.623 . . . . 10.0 110.718 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.01 -49.25 77.49 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.271 0.487 . . . . 10.0 109.721 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -61.21 -48.16 82.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.934 -0.478 . . . . 10.0 109.867 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -48.3 -53.32 17.74 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.895 0.878 . . . . 10.0 110.323 171.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -54.12 -49.24 69.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.827 0.451 . . . . 10.0 110.302 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -52.52 -49.23 65.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.408 0.549 . . . . 10.0 110.594 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.78 -47.8 73.5 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.493 0.588 . . . . 10.0 110.977 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -56.26 -47.52 78.39 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.119 0.418 . . . . 10.0 110.625 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.0 -48.92 77.31 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.562 -0.256 . . . . 10.0 111.088 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -59.45 -44.85 92.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.425 0.557 . . . . 10.0 110.715 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -57.22 -49.74 75.04 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.894 0.478 . . . . 10.0 110.946 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -70.12 -40.53 74.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.201 -0.6 . . . . 10.0 111.172 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -43.12 99.52 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.722 1.153 . . . . 10.0 112.382 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.927 -1.035 . . . . 10.0 110.461 179.67 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.5 p90 . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 120.405 0.145 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.18 123.05 84.89 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 107.068 -1.456 . . . . 10.0 107.068 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.38 53.91 4.98 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.306 2.004 . . . . 10.0 110.944 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.86 -53.51 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.69 1.196 . . . . 10.0 112.981 -171.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -127.87 33.46 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.71 -1.589 . . . . 10.0 106.71 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m 62.13 99.14 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.794 1.237 . . . . 10.0 109.304 -168.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -44.83 -43.66 8.9 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -169.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -51.14 40.65 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.692 -0.563 . . . . 10.0 111.692 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.31 -47.73 78.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.3 -54.04 42.11 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.109 0.48 . . . . 10.0 110.35 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.37 77.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.491 0.716 . . . . 10.0 109.48 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -58.33 -35.91 72.61 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.649 -0.657 . . . . 10.0 111.949 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.8 tpp -62.29 -40.3 95.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.117 0.872 . . . . 10.0 110.165 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.85 -50.08 69.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.14 0.882 . . . . 10.0 109.896 172.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.24 -45.36 84.01 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.646 -0.131 . . . . 10.0 110.646 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -55.2 35.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.155 0.982 . . . . 10.0 109.612 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -61.93 -38.2 87.55 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.004 -0.435 . . . . 10.0 111.147 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -59.76 -48.8 80.23 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.532 0.605 . . . . 10.0 110.853 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -58.46 -42.19 86.88 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 122.067 -0.395 . . . . 10.0 110.901 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -58.27 -50.18 74.52 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.109 0.564 . . . . 10.0 109.773 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.64 61.61 2.83 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.37 0.986 . . . . 10.0 112.215 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 C--O 1.25 1.126 0 C-N-CA 125.498 1.519 . . . . 10.0 108.949 172.169 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 p90 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 110.773 -0.084 . . . . 10.0 110.773 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.37 121.82 85.81 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 106.966 -1.494 . . . . 10.0 106.966 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.1 49.18 3.11 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.584 2.189 . . . . 10.0 111.98 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -47.74 -53.99 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.35 1.06 . . . . 10.0 112.393 -174.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -123.7 40.81 3.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 169.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m 61.86 11.51 4.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.675 1.19 . . . . 10.0 112.686 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 65.3 -57.02 0.3 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.455 2.302 . . . . 10.0 111.54 -168.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.64 -47.73 8.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.499 1.523 . . . . 10.0 112.613 -178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -64.9 -39.58 93.75 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 117.816 0.808 . . . . 10.0 110.139 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.21 -47.21 77.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.85 -39.75 95.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.84 -0.537 . . . . 10.0 110.865 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -58.11 -46.59 85.31 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.81 -0.557 . . . . 10.0 110.291 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.21 -50.35 73.13 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.952 -0.468 . . . . 10.0 110.458 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.9 -47.81 70.77 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.91 -0.494 . . . . 10.0 110.839 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.95 -47.62 77.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.323 0.649 . . . . 10.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -54.29 -50.75 66.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.021 0.528 . . . . 10.0 109.9 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -54.81 -52.05 63.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.71 0.232 . . . . 10.0 111.025 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -54.32 -49.61 69.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.767 0.427 . . . . 10.0 110.427 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -56.81 -49.78 74.34 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 123.718 0.807 . . . . 10.0 110.421 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.3 -37.49 85.74 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.27 -0.269 . . . . 10.0 111.199 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.76 -50.75 61.34 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.126 -1.416 . . . . 10.0 109.665 176.64 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 p90 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 110.814 -0.069 . . . . 10.0 110.814 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.15 116.94 32.27 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 107.612 -1.255 . . . . 10.0 107.612 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.62 60.86 8.03 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.562 2.175 . . . . 10.0 111.325 -172.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -53.18 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 C-N-CA 125.306 1.442 . . . . 10.0 113.997 -169.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -130.1 36.03 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 168.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.41 110.64 0.06 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.67 1.588 . . . . 10.0 108.927 -171.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -53.53 -38.66 63.98 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.267 0.627 . . . . 10.0 111.527 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.02 -42.45 81.01 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.302 0.953 . . . . 10.0 112.338 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.59 -44.4 90.76 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.158 0.979 . . . . 10.0 109.548 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.72 -48.29 72.7 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 172.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.06 -39.99 91.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.34 0.518 . . . . 10.0 110.704 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.46 -55.78 29.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.16 -0.337 . . . . 10.0 110.617 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.7 ptm -64.35 -36.36 83.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.509 -0.876 . . . . 10.0 110.861 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -57.54 -48.39 79.43 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.76 0.824 . . . . 10.0 110.144 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -57.28 -49.92 74.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -57.11 -50.1 73.85 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.467 0.576 . . . . 10.0 110.981 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -53.41 -47.67 69.36 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.002 1.321 . . . . 10.0 110.21 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -64.12 -53.92 42.06 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -52.55 -43.66 65.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.906 1.282 . . . . 10.0 112.227 -169.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -56.45 -24.41 45.38 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.689 0.626 . . . . 10.0 112.689 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.9 68.85 1.04 Allowed Glycine 0 CA--C 1.531 1.082 0 N-CA-C 110.475 -1.05 . . . . 10.0 110.475 171.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.235 1.414 . . . . 10.0 109.993 178.726 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.8 t80 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -38.5 107.71 0.43 Allowed Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 125.695 1.598 . . . . 10.0 111.872 -172.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -81.34 55.77 5.74 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.291 1.994 . . . . 10.0 112.153 -169.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -56.93 11.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 122.983 0.513 . . . . 10.0 111.692 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.27 27.57 7.48 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.542 -1.281 . . . . 10.0 107.542 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 75.99 107.33 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.301 -1.74 . . . . 10.0 106.301 -166.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.38 -44.24 24.03 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.78 -41.82 7.39 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.997 0.808 . . . . 10.0 112.628 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.11 -37.85 72.35 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.849 0.825 . . . . 10.0 111.402 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.69 -45.28 87.29 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -49.5 76.93 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -50.21 -48.36 54.36 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.333 0.653 . . . . 10.0 110.587 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.7 ttt -56.88 -47.1 81.27 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.06 0.391 . . . . 10.0 110.861 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -55.14 -48.48 73.63 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.867 -0.521 . . . . 10.0 110.566 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -60.48 -40.21 90.48 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.998 -0.439 . . . . 10.0 111.128 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.17 -50.79 72.3 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.262 0.483 . . . . 10.0 109.872 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -53.71 -51.41 63.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.641 0.376 . . . . 10.0 110.209 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -55.45 -49.41 72.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.947 0.499 . . . . 10.0 110.555 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -56.09 -50.0 72.26 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.876 0.87 . . . . 10.0 111.143 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -63.12 -38.61 91.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.724 0.238 . . . . 10.0 111.056 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.86 -44.23 98.13 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 116.282 -1.818 . . . . 10.0 111.254 -179.036 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 t80 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 119.535 -0.269 . . . . 10.0 111.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 m -1.31 84.8 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 128.694 2.798 . . . . 10.0 113.278 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -69.36 72.71 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.343 2.029 . . . . 10.0 115.255 -169.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -62.05 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 171.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -123.21 24.25 8.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.119 1.367 . . . . 10.0 107.485 168.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m 81.35 108.67 0.07 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.69 -1.596 . . . . 10.0 106.69 -167.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -53.4 -35.47 60.42 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 119.314 0.961 . . . . 10.0 112.142 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.3 -41.4 5.06 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.058 0.837 . . . . 10.0 112.901 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.22 -53.07 61.55 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.612 0.706 . . . . 10.0 109.616 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -36.61 80.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 10.0 109.989 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -66.03 -48.39 71.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.474 -0.766 . . . . 10.0 110.137 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -56.82 -49.05 76.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.38 0.672 . . . . 10.0 109.522 174.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.1 ttm -55.19 -49.7 71.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.512 0.325 . . . . 10.0 110.571 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -56.72 -47.95 78.81 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.015 0.37 . . . . 10.0 111.14 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -54.34 -51.91 63.23 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.174 0.443 . . . . 10.0 110.803 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -62.43 -46.17 89.77 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.18 -0.325 . . . . 10.0 110.526 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -54.36 -48.89 70.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.326 0.65 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -70.37 -39.65 74.46 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 118.197 0.453 . . . . 10.0 111.793 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.61 -46.64 73.86 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.854 0.462 . . . . 10.0 110.695 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -72.3 -59.73 2.59 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.537 0.684 . . . . 10.0 110.059 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.01 69.56 2.16 Favored Glycine 0 CA--C 1.525 0.686 0 C-N-CA 125.431 1.491 . . . . 10.0 111.607 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.316 -1.326 . . . . 10.0 109.934 170.787 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 p90 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 t 38.11 76.67 0.45 Allowed Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 126.502 1.921 . . . . 10.0 112.06 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.68 59.71 6.9 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.296 2.664 . . . . 10.0 113.105 -168.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -52.42 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 124.799 1.24 . . . . 10.0 113.627 -173.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -115.97 24.37 11.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.274 1.03 . . . . 10.0 108.35 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m 78.93 111.07 0.07 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -166.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -49.37 -42.31 41.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.665 0.745 . . . . 10.0 111.191 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.44 -37.7 12.75 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 126.029 1.776 . . . . 10.0 113.652 173.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.44 -51.95 67.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 117.993 0.896 . . . . 10.0 108.85 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 mt -62.15 -33.97 75.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.549 -0.167 . . . . 10.0 110.549 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.24 -47.54 81.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.042 -0.663 . . . . 10.0 109.257 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -58.06 -44.91 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.834 -0.542 . . . . 10.0 111.113 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 93.9 mmm -54.18 -45.2 72.05 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.263 0.483 . . . . 10.0 110.148 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.53 -40.94 88.84 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.317 0.508 . . . . 10.0 111.524 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -55.0 -48.95 72.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.69 0.677 . . . . 10.0 110.206 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -58.58 -47.23 84.96 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 117.916 0.325 . . . . 10.0 111.147 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.47 -51.57 62.31 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.235 0.614 . . . . 10.0 109.983 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -60.81 -44.28 97.09 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 110.542 -0.17 . . . . 10.0 110.542 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -42.63 85.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.838 0.455 . . . . 10.0 110.399 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -66.92 -48.4 68.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.428 0.691 . . . . 10.0 110.181 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.55 50.71 1.81 Allowed Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.343 0.973 . . . . 10.0 111.13 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.815 -1.564 . . . . 10.0 111.846 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.3 t80 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.608 -0.145 . . . . 10.0 110.608 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 m -135.93 146.2 55.82 Favored Pre-proline 0 N--CA 1.454 -0.265 0 N-CA-C 106.565 -1.643 . . . . 10.0 106.565 170.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -79.58 51.52 3.91 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.737 2.291 . . . . 10.0 111.824 -173.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.09 -52.72 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 124.715 1.206 . . . . 10.0 112.968 -176.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -125.84 32.45 5.27 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 170.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 45.8 26.7 0.39 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.143 1.777 . . . . 10.0 112.831 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.5 t80 62.99 -59.58 0.14 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.872 2.469 . . . . 10.0 111.654 -169.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -46.48 18.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 126.131 1.824 . . . . 10.0 112.854 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.94 -26.69 60.64 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.407 1.103 . . . . 10.0 110.775 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.46 -49.34 75.8 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 107.746 -1.205 . . . . 10.0 107.746 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.41 -48.03 77.79 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -54.79 -52.79 61.52 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.895 -0.503 . . . . 10.0 110.756 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -55.26 -49.67 71.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.679 0.392 . . . . 10.0 110.085 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -54.06 -49.49 68.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.028 0.931 . . . . 10.0 110.294 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -59.69 -47.51 85.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.533 0.733 . . . . 10.0 110.323 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.83 -46.3 84.91 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -58.17 -46.08 86.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.118 0.567 . . . . 10.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -54.32 48.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.362 0.528 . . . . 10.0 109.652 172.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.45 -43.8 68.36 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.008 0.923 . . . . 10.0 112.099 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -78.85 -45.59 20.43 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.803 0.274 . . . . 10.0 110.995 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.83 -45.7 93.23 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.45 1.024 . . . . 10.0 112.422 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 116.799 -1.572 . . . . 10.0 110.815 177.871 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 p90 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.631 0.253 . . . . 10.0 110.972 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 80.7 t -83.76 131.73 51.06 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 106.529 -1.656 . . . . 10.0 106.529 169.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.4 56.39 5.5 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.84 2.36 . . . . 10.0 111.03 -178.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -53.52 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 C-N-CA 124.463 1.105 . . . . 10.0 113.394 -169.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -118.84 35.61 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.711 -1.588 . . . . 10.0 106.711 172.238 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m 57.39 65.62 1.32 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 -168.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -2.96 -60.15 0.0 OUTLIER 'General case' 0 C--N 1.342 0.244 0 C-N-CA 131.071 3.749 . . . . 10.0 115.942 -178.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.22 -40.62 1.9 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.171 1.367 . . . . 10.0 112.922 177.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -51.3 -38.52 53.35 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.774 0.787 . . . . 10.0 112.507 177.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.75 -38.92 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.918 0.781 . . . . 10.0 110.657 177.277 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -65.81 -46.24 79.34 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 176.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -48.74 73.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.311 0.244 . . . . 10.0 110.943 176.467 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.7 ttp -54.1 -53.45 53.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.462 0.705 . . . . 10.0 109.557 177.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.28 -45.23 76.18 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.575 -0.25 . . . . 10.0 111.371 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.85 -50.81 71.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.231 0.469 . . . . 10.0 110.555 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -58.98 -49.97 75.87 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.035 -0.415 . . . . 10.0 110.627 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -56.94 -47.07 81.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.492 0.317 . . . . 10.0 110.715 178.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -56.88 -50.49 72.33 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.169 0.587 . . . . 10.0 109.703 176.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -57.85 -46.73 84.36 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.625 -0.672 . . . . 10.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.23 -42.69 54.83 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.582 0.586 . . . . 10.0 112.582 -174.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.03 57.4 3.58 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.988 0.804 . . . . 10.0 113.109 -169.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 . . . . . 0 C--O 1.253 1.249 0 CA-C-O 116.757 -1.592 . . . . 10.0 108.979 179.237 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.8 t -101.0 131.21 23.6 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 123.367 0.667 . . . . 10.0 109.861 -171.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -78.72 61.41 8.02 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.653 2.236 . . . . 10.0 110.235 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -77.3 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 171.378 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.47 26.66 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 106.122 -1.807 . . . . 10.0 106.122 168.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m 70.49 100.55 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.227 1.411 . . . . 10.0 107.388 -166.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -48.33 -28.95 3.46 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -176.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.94 -39.68 5.15 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.205 0.907 . . . . 10.0 112.967 169.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.05 -49.83 70.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.964 0.906 . . . . 10.0 110.111 174.083 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.79 -36.93 76.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.016 -0.516 . . . . 10.0 110.29 -178.388 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -54.08 -50.93 65.68 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.261 0.937 . . . . 10.0 109.984 169.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -48.03 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.916 -0.49 . . . . 10.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.5 tpt -55.29 -49.54 71.83 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.592 0.357 . . . . 10.0 110.324 177.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.55 -44.74 73.14 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.798 0.839 . . . . 10.0 110.032 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.88 -52.92 63.67 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.838 0.745 . . . . 10.0 111.247 178.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -62.69 -37.94 88.43 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 119.359 -0.937 . . . . 10.0 111.417 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.89 -47.59 85.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.218 0.463 . . . . 10.0 110.091 177.083 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.87 -51.77 64.9 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.929 0.892 . . . . 10.0 108.7 175.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.09 -40.52 85.52 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 178.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.59 -40.72 92.77 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.57 -0.707 . . . . 10.0 110.105 174.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.23 58.97 1.91 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.157 0.884 . . . . 10.0 112.112 175.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.474 1.51 . . . . 10.0 108.87 174.415 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 p90 . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.533 0.206 . . . . 10.0 110.907 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.85 149.69 73.63 Favored Pre-proline 0 N--CA 1.455 -0.206 0 N-CA-C 107.174 -1.417 . . . . 10.0 107.174 171.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.31 50.8 3.47 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.117 2.544 . . . . 10.0 111.422 -175.715 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.53 -53.77 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 125.112 1.365 . . . . 10.0 112.795 -173.745 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -117.79 23.38 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.631 1.172 . . . . 10.0 108.533 175.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 93.18 -17.72 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.543 2.337 . . . . 10.0 110.801 -169.359 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 t80 73.74 -49.91 0.69 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 126.805 2.042 . . . . 10.0 113.089 176.145 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.95 -49.75 22.67 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.494 0.568 . . . . 10.0 111.721 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -40.56 95.27 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.112 -0.64 . . . . 10.0 111.179 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.32 -45.75 89.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -60.19 -38.6 83.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.228 -0.295 . . . . 10.0 111.626 174.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -65.35 -48.1 74.14 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.314 -0.866 . . . . 10.0 111.335 176.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.6 -43.77 84.95 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.226 0.466 . . . . 10.0 110.396 176.15 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.69 -48.95 76.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.373 1.069 . . . . 10.0 110.463 173.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -57.22 -50.71 72.02 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -57.16 -48.76 77.9 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.138 0.575 . . . . 10.0 110.401 178.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -54.56 -53.21 57.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.603 0.761 . . . . 10.0 109.91 178.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -57.96 -48.26 80.5 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.518 0.327 . . . . 10.0 110.711 178.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -54.8 -52.15 63.54 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.387 0.675 . . . . 10.0 111.305 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -67.28 -36.54 81.76 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 117.648 0.204 . . . . 10.0 111.208 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.58 -43.06 99.33 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.421 -0.672 . . . . 10.0 111.421 176.149 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 116.764 -1.589 . . . . 10.0 110.82 179.157 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.7 p90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.427 0.155 . . . . 10.0 111.049 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.77 124.01 82.02 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 106.394 -1.706 . . . . 10.0 106.394 169.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -79.59 52.34 4.25 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.406 2.071 . . . . 10.0 111.202 -174.209 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -48.72 -53.96 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.346 1.058 . . . . 10.0 112.869 -169.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -123.9 36.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.666 -1.605 . . . . 10.0 106.666 169.529 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.2 m 59.74 70.88 0.61 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 -169.847 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -12.24 -62.09 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 129.47 3.108 . . . . 10.0 115.445 -175.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.07 -46.4 5.19 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.427 1.013 . . . . 10.0 112.375 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -62.61 -44.46 96.24 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.374 0.67 . . . . 10.0 111.187 179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.65 -45.28 90.87 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 177.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -42.83 94.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.983 0.513 . . . . 10.0 109.946 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -64.81 -47.28 78.6 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.699 -0.626 . . . . 10.0 110.968 175.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -51.35 -45.76 62.45 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.065 0.546 . . . . 10.0 109.895 174.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.75 -47.75 70.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.999 -0.524 . . . . 10.0 110.772 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.86 -46.51 87.56 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 119.172 0.896 . . . . 10.0 110.878 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.19 -44.53 79.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.325 0.25 . . . . 10.0 110.627 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.92 -55.81 30.33 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 176.278 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -37.67 63.33 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.579 0.752 . . . . 10.0 111.774 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -35.2 46.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.608 0.763 . . . . 10.0 111.427 178.072 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -96.17 -53.05 3.77 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.38 0.536 . . . . 10.0 110.594 175.248 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.68 56.56 4.2 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.243 -1.36 . . . . 10.0 110.543 -176.508 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 113.508 0.929 . . . . 10.0 113.508 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -130.76 38.24 3.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 77.95 107.26 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.138 1.375 . . . . 10.0 108.27 -169.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -51.69 -39.73 58.81 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.147 0.579 . . . . 10.0 112.11 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.27 -42.1 17.17 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.611 0.624 . . . . 10.0 112.353 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -67.34 -44.49 78.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.819 0.81 . . . . 10.0 110.315 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.37 -47.71 84.38 Favored 'General case' 0 CA--C 1.528 0.099 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -46.07 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -55.61 -50.71 69.41 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.783 -0.573 . . . . 10.0 110.396 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -55.17 -53.94 49.58 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.582 0.353 . . . . 10.0 110.093 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -49.44 -52.43 29.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.955 0.902 . . . . 10.0 110.521 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.18 -42.47 90.9 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.807 0.843 . . . . 10.0 110.229 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.42 -42.31 83.41 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.011 -0.431 . . . . 10.0 111.198 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.2 -46.7 82.64 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.716 -0.615 . . . . 10.0 109.798 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -58.82 -46.01 88.62 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 122.144 -0.347 . . . . 10.0 111.302 173.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.69 73.81 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.507 0.723 . . . . 10.0 110.47 178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.42 -48.71 66.51 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.783 0.265 . . . . 10.0 110.741 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 C-N-CA 123.439 0.543 . . . . 10.0 112.684 -173.326 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.186 0 N-CA-C 113.163 0.801 . . . . 10.0 113.163 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -131.15 40.31 3.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.689 -1.597 . . . . 10.0 106.689 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m 75.08 106.91 0.08 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.548 1.539 . . . . 10.0 108.925 -170.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.52 -32.47 62.94 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 119.315 -0.374 . . . . 10.0 111.956 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.98 -40.27 5.49 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.808 0.718 . . . . 10.0 112.907 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.92 -52.62 55.39 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.674 0.737 . . . . 10.0 110.064 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -45.88 82.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.212 1.005 . . . . 10.0 109.167 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -56.61 -51.32 69.12 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.017 0.927 . . . . 10.0 109.914 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.8 ttp-105 -56.03 -43.46 77.83 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.817 -0.552 . . . . 10.0 110.659 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mtp -56.51 -48.98 76.04 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.98 0.354 . . . . 10.0 110.571 174.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -52.28 -50.21 62.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.709 0.686 . . . . 10.0 110.465 174.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -56.59 -47.46 79.53 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 119.601 -0.238 . . . . 10.0 111.006 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.67 -47.87 83.03 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.156 0.435 . . . . 10.0 111.165 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -58.28 -51.78 68.36 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.158 -0.339 . . . . 10.0 110.32 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 ttm105 -56.91 -45.38 82.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.398 0.279 . . . . 10.0 110.311 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -59.92 -51.63 68.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.778 0.831 . . . . 10.0 111.482 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -66.24 -36.14 82.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.2 -0.6 . . . . 10.0 110.944 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.429 -0.668 . . . . 10.0 111.429 177.499 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 113.18 0.807 . . . . 10.0 113.18 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.47 16.95 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.215 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 m 68.24 108.87 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 -167.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -40.04 -40.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.472 1.509 . . . . 10.0 113.986 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.04 -44.85 2.91 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.523 1.535 . . . . 10.0 113.051 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.99 -49.28 78.3 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.804 0.802 . . . . 10.0 110.328 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.35 -37.87 87.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -61.03 -50.79 71.92 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -56.5 -47.35 79.48 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.287 -0.258 . . . . 10.0 110.533 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.5 mtp -56.41 -47.67 78.52 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.1 -0.375 . . . . 10.0 110.819 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -57.65 -49.63 75.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.959 0.504 . . . . 10.0 110.293 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.86 -48.8 74.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.377 0.671 . . . . 10.0 110.4 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.97 -49.39 78.07 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.755 0.422 . . . . 10.0 110.545 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.7 -51.25 61.15 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.2 0.6 . . . . 10.0 109.81 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 4.3 mmp_? -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.869 0.322 . . . . 10.0 111.869 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.25 -44.15 83.59 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.621 0.368 . . . . 10.0 110.674 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -65.51 -64.7 0.8 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.836 -0.431 . . . . 10.0 109.836 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.849 0 N-CA-C 111.268 -0.733 . . . . 10.0 111.268 -177.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 113.045 0.757 . . . . 10.0 113.045 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -132.91 35.47 3.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 166.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 80.24 108.47 0.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.676 1.59 . . . . 10.0 108.234 -168.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -54.79 -41.71 70.9 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.436 0.694 . . . . 10.0 111.48 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.47 19.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 123.913 0.768 . . . . 10.0 112.058 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.24 -33.77 73.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 117.65 0.725 . . . . 10.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -65.6 -33.7 76.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.773 0.715 . . . . 10.0 110.306 171.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -69.66 -45.08 69.21 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.034 -1.041 . . . . 10.0 109.412 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -54.93 -49.5 71.17 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.046 0.538 . . . . 10.0 110.643 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -54.8 -55.08 33.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.11 0.564 . . . . 10.0 109.859 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -50.96 -49.99 58.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.902 0.319 . . . . 10.0 110.702 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.46 -48.88 65.58 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.718 0.807 . . . . 10.0 110.243 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.55 -48.17 78.59 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.755 0.252 . . . . 10.0 110.619 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.57 -32.69 58.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.898 -0.573 . . . . 10.0 112.364 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -43.05 -38.32 2.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.687 0.676 . . . . 10.0 112.048 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -58.3 -27.24 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -68.59 -31.95 71.5 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.736 0.698 . . . . 10.0 110.344 174.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.876 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 174.259 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.42 ' CD1' ' H ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.42 ' H ' ' CD1' ' A' ' 4' ' ' ILE . 7.6 m-85 -124.22 36.89 4.52 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.953 -1.499 . . . . 10.0 106.953 170.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.02 20.26 3.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.404 1.482 . . . . 10.0 113.549 174.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.8 t80 64.35 -60.85 0.2 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.592 2.357 . . . . 10.0 111.234 -168.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.58 -42.13 10.0 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 126.678 2.085 . . . . 10.0 113.038 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.86 -39.53 83.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.124 0.962 . . . . 10.0 109.576 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -41.52 84.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.613 0.765 . . . . 10.0 109.023 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -57.92 -50.24 74.01 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.521 -0.737 . . . . 10.0 109.747 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.92 -44.85 82.85 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.027 -0.421 . . . . 10.0 110.84 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.0 tpt -57.55 -51.96 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.832 -0.542 . . . . 10.0 110.256 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.11 -45.7 79.4 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.187 -0.32 . . . . 10.0 111.208 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.71 -53.76 47.58 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.345 1.058 . . . . 10.0 109.807 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -56.16 -54.56 43.72 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.729 0.412 . . . . 10.0 110.281 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.11 -53.97 42.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.079 0.552 . . . . 10.0 110.997 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -31.96 73.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.923 -0.486 . . . . 10.0 111.215 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -43.04 93.54 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.883 0.765 . . . . 10.0 110.331 173.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -68.06 -37.04 80.82 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.214 0.605 . . . . 10.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.152 0 C-N-CA 124.283 0.944 . . . . 10.0 113.607 -175.824 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.582 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 112.391 0.515 . . . . 10.0 112.391 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.582 ' H ' HD12 ' A' ' 4' ' ' ILE . 20.2 m-85 -125.92 42.48 3.29 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.839 -1.911 . . . . 10.0 105.839 168.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.64 19.55 5.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.143 1.377 . . . . 10.0 113.075 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.6 t80 62.95 -59.4 0.14 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 128.116 2.566 . . . . 10.0 112.027 -169.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.31 -47.35 21.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.498 1.523 . . . . 10.0 112.463 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.63 -43.91 95.44 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.476 0.638 . . . . 10.0 109.692 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.63 -49.88 74.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.81 -40.29 92.17 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.193 -0.317 . . . . 10.0 110.768 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -59.47 -50.4 74.05 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.715 -0.616 . . . . 10.0 110.371 175.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.3 ttt -55.42 -51.56 66.47 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -50.35 59.65 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.212 1.005 . . . . 10.0 109.946 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.89 -51.83 66.21 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.473 0.709 . . . . 10.0 109.511 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.47 -47.52 79.02 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.034 0.134 . . . . 10.0 110.829 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.24 -57.13 13.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.855 -0.593 . . . . 10.0 110.8 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -64.52 -38.67 91.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.165 0.893 . . . . 10.0 111.608 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.75 -46.13 81.58 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.62 0.768 . . . . 10.0 111.202 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.99 -57.22 2.71 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.076 0.551 . . . . 10.0 110.55 -173.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.813 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 177.825 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 121.309 0.576 . . . . 10.0 109.848 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -113.51 16.49 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.785 1.234 . . . . 10.0 108.501 169.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 86.54 100.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.592 1.957 . . . . 10.0 107.442 -167.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -35.63 -49.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.772 1.629 . . . . 10.0 113.83 -171.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -53.73 3.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.723 1.154 . . . . 10.0 112.958 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.76 -34.89 76.35 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 118.235 1.017 . . . . 10.0 111.182 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.5 -40.01 94.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.813 0.733 . . . . 10.0 109.743 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -60.77 -48.98 79.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.532 -0.73 . . . . 10.0 110.474 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -60.2 -39.54 86.91 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.53 -0.731 . . . . 10.0 112.387 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.9 mtp -58.03 -50.71 72.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.385 0.538 . . . . 10.0 109.82 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -55.86 -47.17 77.8 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.357 -0.214 . . . . 10.0 110.959 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.03 -47.93 81.59 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.213 0.461 . . . . 10.0 110.4 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -60.15 -47.3 86.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.851 0.46 . . . . 10.0 110.278 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -48.9 72.54 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.904 0.482 . . . . 10.0 110.02 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -50.67 72.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.16 0.584 . . . . 10.0 109.691 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -44.28 68.91 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.96 0.904 . . . . 10.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -65.99 -49.5 67.58 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.833 0 C-N-CA 124.364 0.983 . . . . 10.0 111.675 178.794 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -117.04 30.14 7.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.921 -1.881 . . . . 10.0 105.921 168.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 m 67.36 89.3 0.1 Allowed 'General case' 0 C--N 1.342 0.281 0 N-CA-C 107.118 -1.438 . . . . 10.0 107.118 -167.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -31.53 -47.01 0.11 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.118 1.767 . . . . 10.0 115.34 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.14 -41.5 6.3 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.832 0.73 . . . . 10.0 113.04 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.09 -53.52 57.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.628 1.171 . . . . 10.0 110.164 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.7 -41.59 95.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -57.46 -47.49 81.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -62.34 -42.3 99.27 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.779 -0.576 . . . . 10.0 111.66 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 54.9 mtt -55.84 -48.42 75.51 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.212 0.46 . . . . 10.0 110.064 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -57.52 -48.16 80.02 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.968 0.507 . . . . 10.0 110.675 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -54.8 -50.33 68.81 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.277 0.49 . . . . 10.0 109.789 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.74 -40.64 95.81 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.315 -0.241 . . . . 10.0 110.966 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -57.13 -54.88 41.76 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.692 -0.63 . . . . 10.0 109.461 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -59.49 -30.98 68.93 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.867 -0.52 . . . . 10.0 112.172 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -35.5 60.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.822 0.737 . . . . 10.0 110.571 172.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -87.82 -53.84 4.55 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.204 0.602 . . . . 10.0 110.144 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.871 0 C-N-CA 124.435 1.017 . . . . 10.0 112.455 -174.925 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.56 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 113.674 0.99 . . . . 10.0 113.674 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.56 ' H ' HD12 ' A' ' 4' ' ' ILE . 3.7 m-85 -118.04 20.77 13.13 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 124.44 1.096 . . . . 10.0 108.895 172.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m 82.32 112.62 0.06 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.734 1.614 . . . . 10.0 107.203 -167.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -54.89 -37.4 66.26 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.673 -0.642 . . . . 10.0 111.979 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.85 -45.16 55.77 Favored Glycine 0 CA--C 1.532 1.126 0 N-CA-C 111.753 -0.539 . . . . 10.0 111.753 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.44 -41.49 80.22 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.996 -0.708 . . . . 10.0 109.419 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -41.88 74.07 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.431 0.292 . . . . 10.0 110.613 177.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.83 -44.93 76.07 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.339 -0.851 . . . . 10.0 111.53 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -55.78 -38.91 70.52 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.438 -0.789 . . . . 10.0 111.51 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.4 mtt -55.89 -44.9 78.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.675 0.67 . . . . 10.0 110.571 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -60.5 -48.29 82.41 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.13 -47.24 78.53 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.5 -52.11 65.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.457 1.103 . . . . 10.0 110.744 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.89 -39.27 93.79 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.958 0.799 . . . . 10.0 110.414 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -49.33 77.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 174.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -41.67 83.22 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 122.857 0.463 . . . . 10.0 110.481 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.1 -45.17 91.58 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.28 0 C-N-CA 123.726 0.679 . . . . 10.0 112.341 173.697 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.059 0 N-CA-C 114.042 1.127 . . . . 10.0 114.042 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -124.01 29.86 6.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.183 -1.414 . . . . 10.0 107.183 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m 65.14 99.46 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 -167.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -49.76 -40.85 42.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -170.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.7 -45.26 79.09 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 111.76 -0.536 . . . . 10.0 111.76 175.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.45 -44.44 82.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.24 -51.99 64.83 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.003 0.43 . . . . 10.0 109.844 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.68 -46.55 77.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.056 0.943 . . . . 10.0 110.126 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -63.72 -43.93 95.09 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.104 0.411 . . . . 10.0 111.575 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 57.5 ttp -56.51 -47.25 79.73 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.78 -0.575 . . . . 10.0 109.583 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.24 -45.46 87.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.555 0.342 . . . . 10.0 110.119 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.2 -51.75 65.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.597 0.759 . . . . 10.0 110.011 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.42 -47.87 80.64 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.151 0.58 . . . . 10.0 110.296 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.6 -57.78 9.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.656 . . . . 10.0 110.475 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -65.42 -37.36 86.71 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.898 0.317 . . . . 10.0 111.269 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -58.26 -45.66 87.42 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.182 0.447 . . . . 10.0 111.049 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.29 -51.13 65.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 C-N-CA 123.944 0.783 . . . . 10.0 113.207 -177.334 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 112.931 0.715 . . . . 10.0 112.931 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -124.59 33.07 5.32 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 168.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m 86.08 114.31 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.149 1.78 . . . . 10.0 109.026 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.23 -40.03 64.23 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.846 0.458 . . . . 10.0 111.836 -177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.84 -44.43 55.42 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.446 -0.662 . . . . 10.0 111.446 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.95 -36.96 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.191 -0.593 . . . . 10.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.89 -50.78 71.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.471 0.578 . . . . 10.0 109.866 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -60.54 -46.53 89.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.688 0.395 . . . . 10.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -51.58 -53.12 41.53 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.993 -0.442 . . . . 10.0 110.425 174.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -54.74 -51.29 66.11 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -51.51 -45.74 62.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.669 0.788 . . . . 10.0 111.19 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.14 -50.0 73.63 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -54.46 -34.82 62.22 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.72 -38.02 60.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.577 1.08 . . . . 10.0 112.189 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.54 -41.51 88.6 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.474 -0.766 . . . . 10.0 109.208 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -44.08 93.6 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.498 0.319 . . . . 10.0 110.317 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.31 -46.52 89.96 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 C-N-CA 123.445 0.545 . . . . 10.0 111.895 177.304 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 121.392 0.615 . . . . 10.0 112.575 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.82 22.59 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.809 -1.087 . . . . 10.0 108.505 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m 62.28 92.41 0.06 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.942 0.897 . . . . 10.0 108.745 -168.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -22.85 -55.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.209 2.204 . . . . 10.0 115.791 -170.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -46.05 1.6 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.451 1.024 . . . . 10.0 113.418 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.99 -50.36 73.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.544 0.672 . . . . 10.0 110.527 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -62.45 -44.04 97.36 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.91 -0.494 . . . . 10.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -57.25 -47.02 82.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.265 0.484 . . . . 10.0 110.483 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.3 mmm -55.88 -50.29 71.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.793 0.27 . . . . 10.0 110.81 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.33 -48.58 76.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.526 0.603 . . . . 10.0 111.046 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -56.48 -49.99 73.08 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.21 -0.306 . . . . 10.0 110.653 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.18 -50.99 69.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.964 0.505 . . . . 10.0 110.271 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -54.63 -47.07 73.93 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.596 0.759 . . . . 10.0 110.408 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -63.19 -45.23 92.71 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.965 0.348 . . . . 10.0 111.338 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -59.81 -37.97 80.65 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 122.879 0.472 . . . . 10.0 110.412 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -64.62 -57.69 8.39 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.912 0 C-N-CA 125.549 1.547 . . . . 10.0 112.523 -174.702 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -115.92 34.54 4.91 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.169 -1.049 . . . . 10.0 108.169 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.89 112.67 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.261 1.824 . . . . 10.0 109.074 -172.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -45.07 -48.42 11.86 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.581 0.752 . . . . 10.0 111.726 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.55 -43.5 45.52 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 123.502 0.572 . . . . 10.0 112.058 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.15 -40.14 71.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.447 0.623 . . . . 10.0 110.718 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.01 -49.25 77.49 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.271 0.487 . . . . 10.0 109.721 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -61.21 -48.16 82.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.934 -0.478 . . . . 10.0 109.867 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -48.3 -53.32 17.74 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.895 0.878 . . . . 10.0 110.323 171.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -54.12 -49.24 69.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.827 0.451 . . . . 10.0 110.302 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -52.52 -49.23 65.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.408 0.549 . . . . 10.0 110.594 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.78 -47.8 73.5 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.493 0.588 . . . . 10.0 110.977 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -56.26 -47.52 78.39 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.119 0.418 . . . . 10.0 110.625 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.0 -48.92 77.31 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.562 -0.256 . . . . 10.0 111.088 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -59.45 -44.85 92.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.425 0.557 . . . . 10.0 110.715 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -57.22 -49.74 75.04 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.894 0.478 . . . . 10.0 110.946 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -70.12 -40.53 74.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.201 -0.6 . . . . 10.0 111.172 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.805 0 C-N-CA 124.722 1.153 . . . . 10.0 112.382 -174.91 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.281 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -127.87 33.46 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.71 -1.589 . . . . 10.0 106.71 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m 62.13 99.14 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.794 1.237 . . . . 10.0 109.304 -168.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -44.83 -43.66 8.9 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -169.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -51.14 40.65 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.692 -0.563 . . . . 10.0 111.692 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.31 -47.73 78.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.3 -54.04 42.11 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.109 0.48 . . . . 10.0 110.35 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.37 77.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.491 0.716 . . . . 10.0 109.48 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -58.33 -35.91 72.61 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.649 -0.657 . . . . 10.0 111.949 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.8 tpp -62.29 -40.3 95.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.117 0.872 . . . . 10.0 110.165 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.85 -50.08 69.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.14 0.882 . . . . 10.0 109.896 172.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.24 -45.36 84.01 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.646 -0.131 . . . . 10.0 110.646 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -55.2 35.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.155 0.982 . . . . 10.0 109.612 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -61.93 -38.2 87.55 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.004 -0.435 . . . . 10.0 111.147 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -59.76 -48.8 80.23 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.532 0.605 . . . . 10.0 110.853 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -58.46 -42.19 86.88 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 122.067 -0.395 . . . . 10.0 110.901 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -58.27 -50.18 74.52 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.109 0.564 . . . . 10.0 109.773 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 C-N-CA 124.37 0.986 . . . . 10.0 112.215 -178.094 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 112.393 0.516 . . . . 10.0 112.393 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.512 ' H ' HD12 ' A' ' 4' ' ' ILE . 13.0 m-85 -123.7 40.81 3.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 169.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m 61.86 11.51 4.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.675 1.19 . . . . 10.0 112.686 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 65.3 -57.02 0.3 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.455 2.302 . . . . 10.0 111.54 -168.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.64 -47.73 8.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.499 1.523 . . . . 10.0 112.613 -178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -64.9 -39.58 93.75 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 117.816 0.808 . . . . 10.0 110.139 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.21 -47.21 77.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.85 -39.75 95.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.84 -0.537 . . . . 10.0 110.865 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -58.11 -46.59 85.31 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.81 -0.557 . . . . 10.0 110.291 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.21 -50.35 73.13 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.952 -0.468 . . . . 10.0 110.458 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.9 -47.81 70.77 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.91 -0.494 . . . . 10.0 110.839 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.95 -47.62 77.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.323 0.649 . . . . 10.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -54.29 -50.75 66.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.021 0.528 . . . . 10.0 109.9 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -54.81 -52.05 63.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.71 0.232 . . . . 10.0 111.025 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -54.32 -49.61 69.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.767 0.427 . . . . 10.0 110.427 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -56.81 -49.78 74.34 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 123.718 0.807 . . . . 10.0 110.421 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.3 -37.49 85.74 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.27 -0.269 . . . . 10.0 111.199 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 173.506 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 N-CA-C 113.997 1.11 . . . . 10.0 113.997 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -130.1 36.03 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 168.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.41 110.64 0.06 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.67 1.588 . . . . 10.0 108.927 -171.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -53.53 -38.66 63.98 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.267 0.627 . . . . 10.0 111.527 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.02 -42.45 81.01 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.302 0.953 . . . . 10.0 112.338 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.59 -44.4 90.76 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.158 0.979 . . . . 10.0 109.548 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.72 -48.29 72.7 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 172.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.06 -39.99 91.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.34 0.518 . . . . 10.0 110.704 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.46 -55.78 29.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.16 -0.337 . . . . 10.0 110.617 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.7 ptm -64.35 -36.36 83.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.509 -0.876 . . . . 10.0 110.861 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -57.54 -48.39 79.43 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.76 0.824 . . . . 10.0 110.144 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -57.28 -49.92 74.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -57.11 -50.1 73.85 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.467 0.576 . . . . 10.0 110.981 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -53.41 -47.67 69.36 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.002 1.321 . . . . 10.0 110.21 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -64.12 -53.92 42.06 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -52.55 -43.66 65.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.906 1.282 . . . . 10.0 112.227 -169.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -56.45 -24.41 45.38 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.689 0.626 . . . . 10.0 112.689 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 110.475 -1.05 . . . . 10.0 110.475 171.866 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 121.121 0.486 . . . . 10.0 111.692 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.27 27.57 7.48 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.542 -1.281 . . . . 10.0 107.542 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 75.99 107.33 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.301 -1.74 . . . . 10.0 106.301 -166.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.38 -44.24 24.03 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.78 -41.82 7.39 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.997 0.808 . . . . 10.0 112.628 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.11 -37.85 72.35 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.849 0.825 . . . . 10.0 111.402 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.69 -45.28 87.29 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -49.5 76.93 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -50.21 -48.36 54.36 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.333 0.653 . . . . 10.0 110.587 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.7 ttt -56.88 -47.1 81.27 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.06 0.391 . . . . 10.0 110.861 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -55.14 -48.48 73.63 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.867 -0.521 . . . . 10.0 110.566 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -60.48 -40.21 90.48 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.998 -0.439 . . . . 10.0 111.128 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.17 -50.79 72.3 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.262 0.483 . . . . 10.0 109.872 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -53.71 -51.41 63.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.641 0.376 . . . . 10.0 110.209 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -55.45 -49.41 72.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.947 0.499 . . . . 10.0 110.555 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -56.09 -50.0 72.26 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.876 0.87 . . . . 10.0 111.143 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -63.12 -38.61 91.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.724 0.238 . . . . 10.0 111.056 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 175.946 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.146 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -123.21 24.25 8.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.119 1.367 . . . . 10.0 107.485 168.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m 81.35 108.67 0.07 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.69 -1.596 . . . . 10.0 106.69 -167.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -53.4 -35.47 60.42 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 119.314 0.961 . . . . 10.0 112.142 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.3 -41.4 5.06 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.058 0.837 . . . . 10.0 112.901 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.22 -53.07 61.55 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.612 0.706 . . . . 10.0 109.616 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -36.61 80.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 10.0 109.989 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -66.03 -48.39 71.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.474 -0.766 . . . . 10.0 110.137 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -56.82 -49.05 76.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.38 0.672 . . . . 10.0 109.522 174.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.1 ttm -55.19 -49.7 71.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.512 0.325 . . . . 10.0 110.571 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -56.72 -47.95 78.81 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.015 0.37 . . . . 10.0 111.14 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -54.34 -51.91 63.23 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.174 0.443 . . . . 10.0 110.803 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -62.43 -46.17 89.77 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.18 -0.325 . . . . 10.0 110.526 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -54.36 -48.89 70.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.326 0.65 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -70.37 -39.65 74.46 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 118.197 0.453 . . . . 10.0 111.793 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.61 -46.64 73.86 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.854 0.462 . . . . 10.0 110.695 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -72.3 -59.73 2.59 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.537 0.684 . . . . 10.0 110.059 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 C-N-CA 125.431 1.491 . . . . 10.0 111.607 -173.181 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.082 0 N-CA-C 113.627 0.973 . . . . 10.0 113.627 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -115.97 24.37 11.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.274 1.03 . . . . 10.0 108.35 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m 78.93 111.07 0.07 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -166.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -49.37 -42.31 41.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.665 0.745 . . . . 10.0 111.191 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.44 -37.7 12.75 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 126.029 1.776 . . . . 10.0 113.652 173.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.44 -51.95 67.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 117.993 0.896 . . . . 10.0 108.85 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 mt -62.15 -33.97 75.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.549 -0.167 . . . . 10.0 110.549 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.24 -47.54 81.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.042 -0.663 . . . . 10.0 109.257 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -58.06 -44.91 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.834 -0.542 . . . . 10.0 111.113 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 93.9 mmm -54.18 -45.2 72.05 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.263 0.483 . . . . 10.0 110.148 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.53 -40.94 88.84 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.317 0.508 . . . . 10.0 111.524 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -55.0 -48.95 72.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.69 0.677 . . . . 10.0 110.206 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -58.58 -47.23 84.96 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 117.916 0.325 . . . . 10.0 111.147 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.47 -51.57 62.31 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.235 0.614 . . . . 10.0 109.983 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -60.81 -44.28 97.09 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 110.542 -0.17 . . . . 10.0 110.542 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -42.63 85.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.838 0.455 . . . . 10.0 110.399 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -66.92 -48.4 68.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.428 0.691 . . . . 10.0 110.181 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 C-N-CA 124.343 0.973 . . . . 10.0 111.13 178.849 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -125.84 32.45 5.27 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 170.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 45.8 26.7 0.39 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.143 1.777 . . . . 10.0 112.831 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.5 t80 62.99 -59.58 0.14 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.872 2.469 . . . . 10.0 111.654 -169.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -46.48 18.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 126.131 1.824 . . . . 10.0 112.854 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.94 -26.69 60.64 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.407 1.103 . . . . 10.0 110.775 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.46 -49.34 75.8 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 107.746 -1.205 . . . . 10.0 107.746 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -56.41 -48.03 77.79 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -54.79 -52.79 61.52 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.895 -0.503 . . . . 10.0 110.756 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -55.26 -49.67 71.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.679 0.392 . . . . 10.0 110.085 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -54.06 -49.49 68.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.028 0.931 . . . . 10.0 110.294 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -59.69 -47.51 85.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.533 0.733 . . . . 10.0 110.323 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.83 -46.3 84.91 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -58.17 -46.08 86.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.118 0.567 . . . . 10.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -54.32 48.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.362 0.528 . . . . 10.0 109.652 172.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.45 -43.8 68.36 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.008 0.923 . . . . 10.0 112.099 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -78.85 -45.59 20.43 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.803 0.274 . . . . 10.0 110.995 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.797 0 C-N-CA 124.45 1.024 . . . . 10.0 112.422 -176.022 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 N-CA-C 113.394 0.886 . . . . 10.0 113.394 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -118.84 35.61 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.711 -1.588 . . . . 10.0 106.711 172.238 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m 57.39 65.62 1.32 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 -168.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -2.96 -60.15 0.0 OUTLIER 'General case' 0 C--N 1.342 0.244 0 C-N-CA 131.071 3.749 . . . . 10.0 115.942 -178.668 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.22 -40.62 1.9 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.171 1.367 . . . . 10.0 112.922 177.26 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -51.3 -38.52 53.35 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.774 0.787 . . . . 10.0 112.507 177.59 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.75 -38.92 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.918 0.781 . . . . 10.0 110.657 177.277 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -65.81 -46.24 79.34 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 176.846 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -48.74 73.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.311 0.244 . . . . 10.0 110.943 176.467 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.7 ttp -54.1 -53.45 53.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.462 0.705 . . . . 10.0 109.557 177.542 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.28 -45.23 76.18 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.575 -0.25 . . . . 10.0 111.371 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.85 -50.81 71.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.231 0.469 . . . . 10.0 110.555 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -58.98 -49.97 75.87 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.035 -0.415 . . . . 10.0 110.627 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -56.94 -47.07 81.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.492 0.317 . . . . 10.0 110.715 178.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -56.88 -50.49 72.33 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.169 0.587 . . . . 10.0 109.703 176.798 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -57.85 -46.73 84.36 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.625 -0.672 . . . . 10.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.23 -42.69 54.83 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.582 0.586 . . . . 10.0 112.582 -174.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 C-N-CA 123.988 0.804 . . . . 10.0 113.109 -169.368 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.47 26.66 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 106.122 -1.807 . . . . 10.0 106.122 168.464 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m 70.49 100.55 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.227 1.411 . . . . 10.0 107.388 -166.48 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -48.33 -28.95 3.46 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -176.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.94 -39.68 5.15 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.205 0.907 . . . . 10.0 112.967 169.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.05 -49.83 70.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.964 0.906 . . . . 10.0 110.111 174.083 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.79 -36.93 76.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.016 -0.516 . . . . 10.0 110.29 -178.388 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -54.08 -50.93 65.68 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.261 0.937 . . . . 10.0 109.984 169.433 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -48.03 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.916 -0.49 . . . . 10.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.5 tpt -55.29 -49.54 71.83 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.592 0.357 . . . . 10.0 110.324 177.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.55 -44.74 73.14 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.798 0.839 . . . . 10.0 110.032 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.88 -52.92 63.67 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.838 0.745 . . . . 10.0 111.247 178.387 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -62.69 -37.94 88.43 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 119.359 -0.937 . . . . 10.0 111.417 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.89 -47.59 85.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.218 0.463 . . . . 10.0 110.091 177.083 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.87 -51.77 64.9 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.929 0.892 . . . . 10.0 108.7 175.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.09 -40.52 85.52 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 178.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.59 -40.72 92.77 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.57 -0.707 . . . . 10.0 110.105 174.074 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.097 0 C-N-CA 124.157 0.884 . . . . 10.0 112.112 175.935 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 112.795 0.665 . . . . 10.0 112.795 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -117.79 23.38 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.631 1.172 . . . . 10.0 108.533 175.233 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 93.18 -17.72 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.543 2.337 . . . . 10.0 110.801 -169.359 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 t80 73.74 -49.91 0.69 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 126.805 2.042 . . . . 10.0 113.089 176.145 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.95 -49.75 22.67 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.494 0.568 . . . . 10.0 111.721 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -40.56 95.27 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.112 -0.64 . . . . 10.0 111.179 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.32 -45.75 89.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -60.19 -38.6 83.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.228 -0.295 . . . . 10.0 111.626 174.785 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -65.35 -48.1 74.14 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.314 -0.866 . . . . 10.0 111.335 176.014 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.6 -43.77 84.95 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.226 0.466 . . . . 10.0 110.396 176.15 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.69 -48.95 76.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.373 1.069 . . . . 10.0 110.463 173.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -57.22 -50.71 72.02 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -57.16 -48.76 77.9 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.138 0.575 . . . . 10.0 110.401 178.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -54.56 -53.21 57.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.603 0.761 . . . . 10.0 109.91 178.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -57.96 -48.26 80.5 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.518 0.327 . . . . 10.0 110.711 178.501 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -54.8 -52.15 63.54 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.387 0.675 . . . . 10.0 111.305 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -67.28 -36.54 81.76 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 117.648 0.204 . . . . 10.0 111.208 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.421 -0.672 . . . . 10.0 111.421 176.149 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.526 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.327 0 N-CA-C 112.869 0.692 . . . . 10.0 112.869 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.526 ' H ' HD12 ' A' ' 4' ' ' ILE . 10.0 m-85 -123.9 36.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.666 -1.605 . . . . 10.0 106.666 169.529 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.2 m 59.74 70.88 0.61 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 -169.847 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -12.24 -62.09 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 129.47 3.108 . . . . 10.0 115.445 -175.231 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.07 -46.4 5.19 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.427 1.013 . . . . 10.0 112.375 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -62.61 -44.46 96.24 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.374 0.67 . . . . 10.0 111.187 179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.65 -45.28 90.87 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 177.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -42.83 94.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.983 0.513 . . . . 10.0 109.946 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -64.81 -47.28 78.6 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.699 -0.626 . . . . 10.0 110.968 175.826 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -51.35 -45.76 62.45 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.065 0.546 . . . . 10.0 109.895 174.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.75 -47.75 70.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.999 -0.524 . . . . 10.0 110.772 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.86 -46.51 87.56 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 119.172 0.896 . . . . 10.0 110.878 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.19 -44.53 79.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.325 0.25 . . . . 10.0 110.627 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.92 -55.81 30.33 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 176.278 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -37.67 63.33 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.579 0.752 . . . . 10.0 111.774 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -35.2 46.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.608 0.763 . . . . 10.0 111.427 178.072 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -96.17 -53.05 3.77 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.38 0.536 . . . . 10.0 110.594 175.248 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 -179.086 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 120.433 0.158 . . . . 10.0 111.153 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.9 t -88.78 124.8 64.69 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 106.424 -1.695 . . . . 10.0 106.424 169.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -79.08 57.15 6.34 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.313 2.009 . . . . 10.0 110.344 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -56.07 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 C-N-CA 126.227 1.811 . . . . 10.0 113.508 -169.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -130.76 38.24 3.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 77.95 107.26 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.138 1.375 . . . . 10.0 108.27 -169.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -51.69 -39.73 58.81 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.147 0.579 . . . . 10.0 112.11 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.27 -42.1 17.17 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.611 0.624 . . . . 10.0 112.353 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -67.34 -44.49 78.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.819 0.81 . . . . 10.0 110.315 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.37 -47.71 84.38 Favored 'General case' 0 CA--C 1.528 0.099 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -46.07 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -55.61 -50.71 69.41 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.783 -0.573 . . . . 10.0 110.396 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -55.17 -53.94 49.58 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.582 0.353 . . . . 10.0 110.093 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -49.44 -52.43 29.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.955 0.902 . . . . 10.0 110.521 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.18 -42.47 90.9 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.807 0.843 . . . . 10.0 110.229 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.42 -42.31 83.41 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.011 -0.431 . . . . 10.0 111.198 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.2 -46.7 82.64 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.716 -0.615 . . . . 10.0 109.798 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -58.82 -46.01 88.62 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 122.144 -0.347 . . . . 10.0 111.302 173.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.69 73.81 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.507 0.723 . . . . 10.0 110.47 178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.42 -48.71 66.51 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.783 0.265 . . . . 10.0 110.741 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.96 -50.27 61.94 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.439 0.543 . . . . 10.0 112.684 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.202 -1.38 . . . . 10.0 110.093 -177.839 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.77 121.88 14.04 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 106.116 -1.809 . . . . 10.0 106.116 172.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -80.53 55.05 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.187 1.925 . . . . 10.0 110.827 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.08 -54.19 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 125.311 1.444 . . . . 10.0 113.163 -169.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -131.15 40.31 3.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.689 -1.597 . . . . 10.0 106.689 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m 75.08 106.91 0.08 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.548 1.539 . . . . 10.0 108.925 -170.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.52 -32.47 62.94 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 119.315 -0.374 . . . . 10.0 111.956 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.98 -40.27 5.49 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.808 0.718 . . . . 10.0 112.907 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.92 -52.62 55.39 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.674 0.737 . . . . 10.0 110.064 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -45.88 82.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.212 1.005 . . . . 10.0 109.167 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -56.61 -51.32 69.12 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.017 0.927 . . . . 10.0 109.914 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.8 ttp-105 -56.03 -43.46 77.83 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.817 -0.552 . . . . 10.0 110.659 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mtp -56.51 -48.98 76.04 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.98 0.354 . . . . 10.0 110.571 174.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -52.28 -50.21 62.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.709 0.686 . . . . 10.0 110.465 174.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -56.59 -47.46 79.53 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 119.601 -0.238 . . . . 10.0 111.006 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.67 -47.87 83.03 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.156 0.435 . . . . 10.0 111.165 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -58.28 -51.78 68.36 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.158 -0.339 . . . . 10.0 110.32 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 ttm105 -56.91 -45.38 82.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.398 0.279 . . . . 10.0 110.311 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -59.92 -51.63 68.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.778 0.831 . . . . 10.0 111.482 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -66.24 -36.14 82.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.2 -0.6 . . . . 10.0 110.944 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.12 -56.39 24.17 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.429 -0.668 . . . . 10.0 111.429 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--O 1.25 1.127 0 C-N-CA 126.354 1.862 . . . . 10.0 113.429 -177.309 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.9 t80 . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 p -167.0 119.62 0.77 Allowed Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 124.7 1.2 . . . . 10.0 108.031 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.23 59.57 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.646 2.231 . . . . 10.0 109.612 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.37 -55.73 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 C-N-CA 126.078 1.751 . . . . 10.0 113.18 -169.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.47 16.95 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.215 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 m 68.24 108.87 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 -167.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -40.04 -40.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.472 1.509 . . . . 10.0 113.986 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.04 -44.85 2.91 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.523 1.535 . . . . 10.0 113.051 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.99 -49.28 78.3 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.804 0.802 . . . . 10.0 110.328 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.35 -37.87 87.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -61.03 -50.79 71.92 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -56.5 -47.35 79.48 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.287 -0.258 . . . . 10.0 110.533 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.5 mtp -56.41 -47.67 78.52 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.1 -0.375 . . . . 10.0 110.819 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -57.65 -49.63 75.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.959 0.504 . . . . 10.0 110.293 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.86 -48.8 74.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.377 0.671 . . . . 10.0 110.4 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.97 -49.39 78.07 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.755 0.422 . . . . 10.0 110.545 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.7 -51.25 61.15 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.2 0.6 . . . . 10.0 109.81 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 4.3 mmp_? -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.869 0.322 . . . . 10.0 111.869 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.25 -44.15 83.59 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.621 0.368 . . . . 10.0 110.674 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -65.51 -64.7 0.8 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.836 -0.431 . . . . 10.0 109.836 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.27 52.57 4.33 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.268 -0.733 . . . . 10.0 111.268 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 . . . . . 0 C--O 1.252 1.225 0 CA-C-O 116.487 -1.72 . . . . 10.0 110.992 -174.563 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 t 55.84 74.16 0.74 Allowed Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 124.723 1.209 . . . . 10.0 110.898 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.12 56.44 6.03 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.636 2.224 . . . . 10.0 112.306 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -44.29 -52.87 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 125.154 1.382 . . . . 10.0 113.045 -172.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -132.91 35.47 3.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 166.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 80.24 108.47 0.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.676 1.59 . . . . 10.0 108.234 -168.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -54.79 -41.71 70.9 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.436 0.694 . . . . 10.0 111.48 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.47 19.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 123.913 0.768 . . . . 10.0 112.058 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.24 -33.77 73.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 117.65 0.725 . . . . 10.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -65.6 -33.7 76.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.773 0.715 . . . . 10.0 110.306 171.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -69.66 -45.08 69.21 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.034 -1.041 . . . . 10.0 109.412 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -54.93 -49.5 71.17 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.046 0.538 . . . . 10.0 110.643 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -54.8 -55.08 33.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.11 0.564 . . . . 10.0 109.859 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -50.96 -49.99 58.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.902 0.319 . . . . 10.0 110.702 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.46 -48.88 65.58 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.718 0.807 . . . . 10.0 110.243 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.55 -48.17 78.59 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.755 0.252 . . . . 10.0 110.619 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.57 -32.69 58.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.898 -0.573 . . . . 10.0 112.364 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -43.05 -38.32 2.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.687 0.676 . . . . 10.0 112.048 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -58.3 -27.24 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -68.59 -31.95 71.5 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.736 0.698 . . . . 10.0 110.344 174.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.31 -41.95 29.53 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 116.731 -1.604 . . . . 10.0 111.541 177.792 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.576 -0.157 . . . . 10.0 110.576 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.26 134.47 17.71 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 106.206 -1.775 . . . . 10.0 106.206 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.67 53.26 4.28 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.86 2.373 . . . . 10.0 111.972 -173.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.42 ' CD1' ' H ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -45.28 -55.01 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 124.935 1.294 . . . . 10.0 112.653 -176.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.42 ' H ' ' CD1' ' A' ' 4' ' ' ILE . 7.6 m-85 -124.22 36.89 4.52 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.953 -1.499 . . . . 10.0 106.953 170.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.02 20.26 3.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.404 1.482 . . . . 10.0 113.549 174.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.8 t80 64.35 -60.85 0.2 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.592 2.357 . . . . 10.0 111.234 -168.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.58 -42.13 10.0 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 126.678 2.085 . . . . 10.0 113.038 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.86 -39.53 83.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.124 0.962 . . . . 10.0 109.576 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -41.52 84.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.613 0.765 . . . . 10.0 109.023 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -57.92 -50.24 74.01 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.521 -0.737 . . . . 10.0 109.747 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.92 -44.85 82.85 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.027 -0.421 . . . . 10.0 110.84 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.0 tpt -57.55 -51.96 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.832 -0.542 . . . . 10.0 110.256 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.11 -45.7 79.4 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.187 -0.32 . . . . 10.0 111.208 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.71 -53.76 47.58 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.345 1.058 . . . . 10.0 109.807 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -56.16 -54.56 43.72 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.729 0.412 . . . . 10.0 110.281 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.11 -53.97 42.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.079 0.552 . . . . 10.0 110.997 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -31.96 73.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.923 -0.486 . . . . 10.0 111.215 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -43.04 93.54 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.883 0.765 . . . . 10.0 110.331 173.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -68.06 -37.04 80.82 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.214 0.605 . . . . 10.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.82 58.86 1.74 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.283 0.944 . . . . 10.0 113.607 -175.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.128 0 C-N-CA 126.076 1.75 . . . . 10.0 108.105 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.717 -0.105 . . . . 10.0 110.717 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.61 120.99 83.12 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 107.442 -1.318 . . . . 10.0 107.442 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -80.5 48.78 2.99 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.497 2.131 . . . . 10.0 112.709 -168.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.582 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -47.58 -53.44 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 123.818 0.847 . . . . 10.0 112.391 -176.093 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.582 ' H ' HD12 ' A' ' 4' ' ' ILE . 20.2 m-85 -125.92 42.48 3.29 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.839 -1.911 . . . . 10.0 105.839 168.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.64 19.55 5.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.143 1.377 . . . . 10.0 113.075 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.6 t80 62.95 -59.4 0.14 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 128.116 2.566 . . . . 10.0 112.027 -169.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.31 -47.35 21.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.498 1.523 . . . . 10.0 112.463 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.63 -43.91 95.44 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.476 0.638 . . . . 10.0 109.692 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.63 -49.88 74.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.81 -40.29 92.17 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.193 -0.317 . . . . 10.0 110.768 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -59.47 -50.4 74.05 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.715 -0.616 . . . . 10.0 110.371 175.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.3 ttt -55.42 -51.56 66.47 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -50.35 59.65 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.212 1.005 . . . . 10.0 109.946 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.89 -51.83 66.21 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.473 0.709 . . . . 10.0 109.511 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.47 -47.52 79.02 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.034 0.134 . . . . 10.0 110.829 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.24 -57.13 13.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.855 -0.593 . . . . 10.0 110.8 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -64.52 -38.67 91.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.165 0.893 . . . . 10.0 111.608 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.75 -46.13 81.58 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.62 0.768 . . . . 10.0 111.202 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.99 -57.22 2.71 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.076 0.551 . . . . 10.0 110.55 -173.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.52 61.84 3.54 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.353 -1.308 . . . . 10.0 110.506 -179.847 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 t80 . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.77 118.23 43.23 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -78.53 59.63 7.25 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.496 2.131 . . . . 10.0 110.678 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -69.71 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.172 0 CA-C-O 121.309 0.576 . . . . 10.0 109.848 178.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -113.51 16.49 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.785 1.234 . . . . 10.0 108.501 169.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 86.54 100.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.592 1.957 . . . . 10.0 107.442 -167.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -35.63 -49.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.772 1.629 . . . . 10.0 113.83 -171.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -53.73 3.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.723 1.154 . . . . 10.0 112.958 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.76 -34.89 76.35 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 118.235 1.017 . . . . 10.0 111.182 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.5 -40.01 94.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.813 0.733 . . . . 10.0 109.743 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -60.77 -48.98 79.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.532 -0.73 . . . . 10.0 110.474 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -60.2 -39.54 86.91 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.53 -0.731 . . . . 10.0 112.387 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.9 mtp -58.03 -50.71 72.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.385 0.538 . . . . 10.0 109.82 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -55.86 -47.17 77.8 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.357 -0.214 . . . . 10.0 110.959 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.03 -47.93 81.59 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.213 0.461 . . . . 10.0 110.4 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -60.15 -47.3 86.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.851 0.46 . . . . 10.0 110.278 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -48.9 72.54 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.904 0.482 . . . . 10.0 110.02 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -50.67 72.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.16 0.584 . . . . 10.0 109.691 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -44.28 68.91 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.96 0.904 . . . . 10.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -65.99 -49.5 67.58 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.15 61.73 2.2 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.364 0.983 . . . . 10.0 111.675 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 116.965 -1.493 . . . . 10.0 110.603 175.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.8 t80 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 110.669 -0.123 . . . . 10.0 110.669 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.3 t -142.32 132.1 12.32 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 107.331 -1.359 . . . . 10.0 107.331 174.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.54 60.93 8.01 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.618 2.212 . . . . 10.0 110.186 176.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -77.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 172.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -117.04 30.14 7.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.921 -1.881 . . . . 10.0 105.921 168.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 m 67.36 89.3 0.1 Allowed 'General case' 0 C--N 1.342 0.281 0 N-CA-C 107.118 -1.438 . . . . 10.0 107.118 -167.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -31.53 -47.01 0.11 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.118 1.767 . . . . 10.0 115.34 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.14 -41.5 6.3 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.832 0.73 . . . . 10.0 113.04 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.09 -53.52 57.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.628 1.171 . . . . 10.0 110.164 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.7 -41.59 95.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -57.46 -47.49 81.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -62.34 -42.3 99.27 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.779 -0.576 . . . . 10.0 111.66 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 54.9 mtt -55.84 -48.42 75.51 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.212 0.46 . . . . 10.0 110.064 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -57.52 -48.16 80.02 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.968 0.507 . . . . 10.0 110.675 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -54.8 -50.33 68.81 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.277 0.49 . . . . 10.0 109.789 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.74 -40.64 95.81 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.315 -0.241 . . . . 10.0 110.966 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -57.13 -54.88 41.76 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.692 -0.63 . . . . 10.0 109.461 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -59.49 -30.98 68.93 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.867 -0.52 . . . . 10.0 112.172 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -35.5 60.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.822 0.737 . . . . 10.0 110.571 172.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -87.82 -53.84 4.55 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.204 0.602 . . . . 10.0 110.144 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.12 -45.7 86.94 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.435 1.017 . . . . 10.0 112.455 -174.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 116.229 -1.843 . . . . 10.0 111.052 175.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.4 p90 . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 120.325 0.107 . . . . 10.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 m -97.32 115.69 65.78 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 170.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.61 53.53 4.81 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.346 2.031 . . . . 10.0 111.023 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.56 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -51.51 -47.01 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.315 1.046 . . . . 10.0 113.674 -169.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.56 ' H ' HD12 ' A' ' 4' ' ' ILE . 3.7 m-85 -118.04 20.77 13.13 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 124.44 1.096 . . . . 10.0 108.895 172.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m 82.32 112.62 0.06 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.734 1.614 . . . . 10.0 107.203 -167.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -54.89 -37.4 66.26 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.673 -0.642 . . . . 10.0 111.979 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.85 -45.16 55.77 Favored Glycine 0 CA--C 1.532 1.126 0 N-CA-C 111.753 -0.539 . . . . 10.0 111.753 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.44 -41.49 80.22 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.996 -0.708 . . . . 10.0 109.419 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -41.88 74.07 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.431 0.292 . . . . 10.0 110.613 177.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.83 -44.93 76.07 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.339 -0.851 . . . . 10.0 111.53 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -55.78 -38.91 70.52 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.438 -0.789 . . . . 10.0 111.51 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.4 mtt -55.89 -44.9 78.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.675 0.67 . . . . 10.0 110.571 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -60.5 -48.29 82.41 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.13 -47.24 78.53 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.5 -52.11 65.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.457 1.103 . . . . 10.0 110.744 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.89 -39.27 93.79 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.958 0.799 . . . . 10.0 110.414 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -49.33 77.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 174.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -41.67 83.22 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 122.857 0.463 . . . . 10.0 110.481 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.1 -45.17 91.58 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.64 50.38 1.77 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.726 0.679 . . . . 10.0 112.341 173.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.112 -1.423 . . . . 10.0 111.34 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.6 -0.148 . . . . 10.0 110.6 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.0 t -139.82 133.34 15.43 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 106.407 -1.701 . . . . 10.0 106.407 172.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -76.41 62.95 7.1 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.831 2.354 . . . . 10.0 109.032 174.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -56.13 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 125.891 1.676 . . . . 10.0 114.042 -168.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -124.01 29.86 6.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.183 -1.414 . . . . 10.0 107.183 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m 65.14 99.46 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 -167.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -49.76 -40.85 42.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -170.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.7 -45.26 79.09 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 111.76 -0.536 . . . . 10.0 111.76 175.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.45 -44.44 82.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.24 -51.99 64.83 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.003 0.43 . . . . 10.0 109.844 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.68 -46.55 77.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.056 0.943 . . . . 10.0 110.126 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -63.72 -43.93 95.09 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.104 0.411 . . . . 10.0 111.575 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 57.5 ttp -56.51 -47.25 79.73 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.78 -0.575 . . . . 10.0 109.583 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.24 -45.46 87.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.555 0.342 . . . . 10.0 110.119 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.2 -51.75 65.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.597 0.759 . . . . 10.0 110.011 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.42 -47.87 80.64 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.151 0.58 . . . . 10.0 110.296 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.6 -57.78 9.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.656 . . . . 10.0 110.475 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -65.42 -37.36 86.71 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.898 0.317 . . . . 10.0 111.269 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -58.26 -45.66 87.42 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.182 0.447 . . . . 10.0 111.049 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.29 -51.13 65.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.26 52.87 3.05 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 123.944 0.783 . . . . 10.0 113.207 -177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 117.163 -1.399 . . . . 10.0 109.103 169.84 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 p90 . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 120.331 0.11 . . . . 10.0 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -118.56 112.9 36.86 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 107.579 -1.267 . . . . 10.0 107.579 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -82.98 53.06 4.22 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.124 1.883 . . . . 10.0 111.555 -171.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.87 -54.1 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.817 1.247 . . . . 10.0 112.931 -170.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -124.59 33.07 5.32 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 168.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m 86.08 114.31 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.149 1.78 . . . . 10.0 109.026 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.23 -40.03 64.23 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.846 0.458 . . . . 10.0 111.836 -177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.84 -44.43 55.42 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.446 -0.662 . . . . 10.0 111.446 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.95 -36.96 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.191 -0.593 . . . . 10.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.89 -50.78 71.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.471 0.578 . . . . 10.0 109.866 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -60.54 -46.53 89.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.688 0.395 . . . . 10.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -51.58 -53.12 41.53 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.993 -0.442 . . . . 10.0 110.425 174.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -54.74 -51.29 66.11 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -51.51 -45.74 62.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.669 0.788 . . . . 10.0 111.19 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.14 -50.0 73.63 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -54.46 -34.82 62.22 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.72 -38.02 60.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.577 1.08 . . . . 10.0 112.189 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.54 -41.51 88.6 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.474 -0.766 . . . . 10.0 109.208 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -44.08 93.6 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.498 0.319 . . . . 10.0 110.317 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.31 -46.52 89.96 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -45.19 83.74 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.445 0.545 . . . . 10.0 111.895 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.369 -1.301 . . . . 10.0 110.546 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.0 t80 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.85 108.25 7.64 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 124.168 0.987 . . . . 10.0 108.653 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -78.84 59.71 7.43 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.523 2.149 . . . . 10.0 110.212 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -56.42 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 126.118 1.767 . . . . 10.0 112.575 -171.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.82 22.59 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.809 -1.087 . . . . 10.0 108.505 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m 62.28 92.41 0.06 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.942 0.897 . . . . 10.0 108.745 -168.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -22.85 -55.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.209 2.204 . . . . 10.0 115.791 -170.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -46.05 1.6 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.451 1.024 . . . . 10.0 113.418 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.99 -50.36 73.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.544 0.672 . . . . 10.0 110.527 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -62.45 -44.04 97.36 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.91 -0.494 . . . . 10.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -57.25 -47.02 82.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.265 0.484 . . . . 10.0 110.483 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.3 mmm -55.88 -50.29 71.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.793 0.27 . . . . 10.0 110.81 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.33 -48.58 76.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.526 0.603 . . . . 10.0 111.046 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -56.48 -49.99 73.08 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.21 -0.306 . . . . 10.0 110.653 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.18 -50.99 69.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.964 0.505 . . . . 10.0 110.271 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -54.63 -47.07 73.93 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.596 0.759 . . . . 10.0 110.408 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -63.19 -45.23 92.71 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.965 0.348 . . . . 10.0 111.338 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -59.81 -37.97 80.65 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 122.879 0.472 . . . . 10.0 110.412 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -64.62 -57.69 8.39 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.23 61.56 2.66 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.549 1.547 . . . . 10.0 112.523 -174.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.117 -1.42 . . . . 10.0 110.527 175.207 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 t80 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 m -136.42 109.86 9.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 123.852 0.861 . . . . 10.0 109.095 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -80.76 108.59 2.12 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.327 2.018 . . . . 10.0 109.013 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.23 -72.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 124.151 0.98 . . . . 10.0 109.82 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -115.92 34.54 4.91 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.169 -1.049 . . . . 10.0 108.169 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.89 112.67 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.261 1.824 . . . . 10.0 109.074 -172.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -45.07 -48.42 11.86 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.581 0.752 . . . . 10.0 111.726 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.55 -43.5 45.52 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 123.502 0.572 . . . . 10.0 112.058 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.15 -40.14 71.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.447 0.623 . . . . 10.0 110.718 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.01 -49.25 77.49 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.271 0.487 . . . . 10.0 109.721 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -61.21 -48.16 82.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.934 -0.478 . . . . 10.0 109.867 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -48.3 -53.32 17.74 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.895 0.878 . . . . 10.0 110.323 171.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -54.12 -49.24 69.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.827 0.451 . . . . 10.0 110.302 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -52.52 -49.23 65.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.408 0.549 . . . . 10.0 110.594 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.78 -47.8 73.5 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.493 0.588 . . . . 10.0 110.977 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -56.26 -47.52 78.39 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.119 0.418 . . . . 10.0 110.625 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.0 -48.92 77.31 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.562 -0.256 . . . . 10.0 111.088 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -59.45 -44.85 92.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.425 0.557 . . . . 10.0 110.715 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -57.22 -49.74 75.04 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.894 0.478 . . . . 10.0 110.946 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -70.12 -40.53 74.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.201 -0.6 . . . . 10.0 111.172 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -43.12 99.52 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.722 1.153 . . . . 10.0 112.382 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.927 -1.035 . . . . 10.0 110.461 179.67 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.5 p90 . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 120.405 0.145 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.18 123.05 84.89 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 107.068 -1.456 . . . . 10.0 107.068 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.38 53.91 4.98 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.306 2.004 . . . . 10.0 110.944 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.86 -53.51 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.69 1.196 . . . . 10.0 112.981 -171.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -127.87 33.46 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.71 -1.589 . . . . 10.0 106.71 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m 62.13 99.14 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.794 1.237 . . . . 10.0 109.304 -168.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -44.83 -43.66 8.9 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -169.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -51.14 40.65 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.692 -0.563 . . . . 10.0 111.692 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.31 -47.73 78.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.3 -54.04 42.11 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.109 0.48 . . . . 10.0 110.35 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.37 77.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.491 0.716 . . . . 10.0 109.48 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -58.33 -35.91 72.61 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.649 -0.657 . . . . 10.0 111.949 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.8 tpp -62.29 -40.3 95.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.117 0.872 . . . . 10.0 110.165 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.85 -50.08 69.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.14 0.882 . . . . 10.0 109.896 172.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.24 -45.36 84.01 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.646 -0.131 . . . . 10.0 110.646 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -55.2 35.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.155 0.982 . . . . 10.0 109.612 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -61.93 -38.2 87.55 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.004 -0.435 . . . . 10.0 111.147 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -59.76 -48.8 80.23 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.532 0.605 . . . . 10.0 110.853 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -58.46 -42.19 86.88 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 122.067 -0.395 . . . . 10.0 110.901 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -58.27 -50.18 74.52 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.109 0.564 . . . . 10.0 109.773 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.64 61.61 2.83 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.37 0.986 . . . . 10.0 112.215 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 C--O 1.25 1.126 0 C-N-CA 125.498 1.519 . . . . 10.0 108.949 172.169 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 p90 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 110.773 -0.084 . . . . 10.0 110.773 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.37 121.82 85.81 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 106.966 -1.494 . . . . 10.0 106.966 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.1 49.18 3.11 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.584 2.189 . . . . 10.0 111.98 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -47.74 -53.99 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.35 1.06 . . . . 10.0 112.393 -174.747 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.512 ' H ' HD12 ' A' ' 4' ' ' ILE . 13.0 m-85 -123.7 40.81 3.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 169.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m 61.86 11.51 4.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.675 1.19 . . . . 10.0 112.686 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 65.3 -57.02 0.3 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.455 2.302 . . . . 10.0 111.54 -168.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.64 -47.73 8.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.499 1.523 . . . . 10.0 112.613 -178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -64.9 -39.58 93.75 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 117.816 0.808 . . . . 10.0 110.139 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.21 -47.21 77.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.85 -39.75 95.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.84 -0.537 . . . . 10.0 110.865 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -58.11 -46.59 85.31 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.81 -0.557 . . . . 10.0 110.291 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.21 -50.35 73.13 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.952 -0.468 . . . . 10.0 110.458 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.9 -47.81 70.77 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.91 -0.494 . . . . 10.0 110.839 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.95 -47.62 77.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.323 0.649 . . . . 10.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -54.29 -50.75 66.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.021 0.528 . . . . 10.0 109.9 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -54.81 -52.05 63.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.71 0.232 . . . . 10.0 111.025 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -54.32 -49.61 69.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.767 0.427 . . . . 10.0 110.427 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -56.81 -49.78 74.34 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 123.718 0.807 . . . . 10.0 110.421 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.3 -37.49 85.74 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.27 -0.269 . . . . 10.0 111.199 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.76 -50.75 61.34 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.126 -1.416 . . . . 10.0 109.665 176.64 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 p90 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 110.814 -0.069 . . . . 10.0 110.814 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.15 116.94 32.27 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 107.612 -1.255 . . . . 10.0 107.612 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.62 60.86 8.03 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.562 2.175 . . . . 10.0 111.325 -172.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -53.18 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 C-N-CA 125.306 1.442 . . . . 10.0 113.997 -169.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -130.1 36.03 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 168.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.41 110.64 0.06 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.67 1.588 . . . . 10.0 108.927 -171.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -53.53 -38.66 63.98 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.267 0.627 . . . . 10.0 111.527 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.02 -42.45 81.01 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.302 0.953 . . . . 10.0 112.338 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.59 -44.4 90.76 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.158 0.979 . . . . 10.0 109.548 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.72 -48.29 72.7 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 172.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.06 -39.99 91.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.34 0.518 . . . . 10.0 110.704 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.46 -55.78 29.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.16 -0.337 . . . . 10.0 110.617 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.7 ptm -64.35 -36.36 83.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.509 -0.876 . . . . 10.0 110.861 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -57.54 -48.39 79.43 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.76 0.824 . . . . 10.0 110.144 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -57.28 -49.92 74.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -57.11 -50.1 73.85 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.467 0.576 . . . . 10.0 110.981 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -53.41 -47.67 69.36 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.002 1.321 . . . . 10.0 110.21 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -64.12 -53.92 42.06 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -52.55 -43.66 65.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.906 1.282 . . . . 10.0 112.227 -169.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -56.45 -24.41 45.38 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.689 0.626 . . . . 10.0 112.689 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.9 68.85 1.04 Allowed Glycine 0 CA--C 1.531 1.082 0 N-CA-C 110.475 -1.05 . . . . 10.0 110.475 171.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.235 1.414 . . . . 10.0 109.993 178.726 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.8 t80 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -38.5 107.71 0.43 Allowed Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 125.695 1.598 . . . . 10.0 111.872 -172.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -81.34 55.77 5.74 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.291 1.994 . . . . 10.0 112.153 -169.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -56.93 11.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 122.983 0.513 . . . . 10.0 111.692 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.27 27.57 7.48 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.542 -1.281 . . . . 10.0 107.542 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 75.99 107.33 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.301 -1.74 . . . . 10.0 106.301 -166.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.38 -44.24 24.03 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.78 -41.82 7.39 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.997 0.808 . . . . 10.0 112.628 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.11 -37.85 72.35 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.849 0.825 . . . . 10.0 111.402 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.69 -45.28 87.29 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -49.5 76.93 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -50.21 -48.36 54.36 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.333 0.653 . . . . 10.0 110.587 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.7 ttt -56.88 -47.1 81.27 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.06 0.391 . . . . 10.0 110.861 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -55.14 -48.48 73.63 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.867 -0.521 . . . . 10.0 110.566 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -60.48 -40.21 90.48 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.998 -0.439 . . . . 10.0 111.128 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.17 -50.79 72.3 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.262 0.483 . . . . 10.0 109.872 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -53.71 -51.41 63.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.641 0.376 . . . . 10.0 110.209 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -55.45 -49.41 72.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.947 0.499 . . . . 10.0 110.555 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -56.09 -50.0 72.26 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.876 0.87 . . . . 10.0 111.143 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -63.12 -38.61 91.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.724 0.238 . . . . 10.0 111.056 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.86 -44.23 98.13 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 116.282 -1.818 . . . . 10.0 111.254 -179.036 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 t80 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 119.535 -0.269 . . . . 10.0 111.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 m -1.31 84.8 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 128.694 2.798 . . . . 10.0 113.278 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -69.36 72.71 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.343 2.029 . . . . 10.0 115.255 -169.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -62.05 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 171.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -123.21 24.25 8.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.119 1.367 . . . . 10.0 107.485 168.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m 81.35 108.67 0.07 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.69 -1.596 . . . . 10.0 106.69 -167.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -53.4 -35.47 60.42 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 119.314 0.961 . . . . 10.0 112.142 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.3 -41.4 5.06 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.058 0.837 . . . . 10.0 112.901 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.22 -53.07 61.55 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.612 0.706 . . . . 10.0 109.616 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -36.61 80.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 10.0 109.989 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -66.03 -48.39 71.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.474 -0.766 . . . . 10.0 110.137 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -56.82 -49.05 76.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.38 0.672 . . . . 10.0 109.522 174.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.1 ttm -55.19 -49.7 71.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.512 0.325 . . . . 10.0 110.571 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -56.72 -47.95 78.81 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.015 0.37 . . . . 10.0 111.14 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -54.34 -51.91 63.23 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.174 0.443 . . . . 10.0 110.803 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -62.43 -46.17 89.77 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.18 -0.325 . . . . 10.0 110.526 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -54.36 -48.89 70.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.326 0.65 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -70.37 -39.65 74.46 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 118.197 0.453 . . . . 10.0 111.793 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.61 -46.64 73.86 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.854 0.462 . . . . 10.0 110.695 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -72.3 -59.73 2.59 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.537 0.684 . . . . 10.0 110.059 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.01 69.56 2.16 Favored Glycine 0 CA--C 1.525 0.686 0 C-N-CA 125.431 1.491 . . . . 10.0 111.607 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.316 -1.326 . . . . 10.0 109.934 170.787 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 p90 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 t 38.11 76.67 0.45 Allowed Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 126.502 1.921 . . . . 10.0 112.06 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.68 59.71 6.9 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.296 2.664 . . . . 10.0 113.105 -168.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -52.42 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 124.799 1.24 . . . . 10.0 113.627 -173.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -115.97 24.37 11.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.274 1.03 . . . . 10.0 108.35 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m 78.93 111.07 0.07 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -166.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -49.37 -42.31 41.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.665 0.745 . . . . 10.0 111.191 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.44 -37.7 12.75 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 126.029 1.776 . . . . 10.0 113.652 173.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.44 -51.95 67.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 117.993 0.896 . . . . 10.0 108.85 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 mt -62.15 -33.97 75.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.549 -0.167 . . . . 10.0 110.549 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.24 -47.54 81.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.042 -0.663 . . . . 10.0 109.257 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -58.06 -44.91 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.834 -0.542 . . . . 10.0 111.113 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 93.9 mmm -54.18 -45.2 72.05 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.263 0.483 . . . . 10.0 110.148 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.53 -40.94 88.84 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.317 0.508 . . . . 10.0 111.524 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -55.0 -48.95 72.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.69 0.677 . . . . 10.0 110.206 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -58.58 -47.23 84.96 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 117.916 0.325 . . . . 10.0 111.147 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.47 -51.57 62.31 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.235 0.614 . . . . 10.0 109.983 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -60.81 -44.28 97.09 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 110.542 -0.17 . . . . 10.0 110.542 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -42.63 85.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.838 0.455 . . . . 10.0 110.399 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -66.92 -48.4 68.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.428 0.691 . . . . 10.0 110.181 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.55 50.71 1.81 Allowed Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.343 0.973 . . . . 10.0 111.13 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.815 -1.564 . . . . 10.0 111.846 -177.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.3 t80 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.608 -0.145 . . . . 10.0 110.608 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 m -135.93 146.2 55.82 Favored Pre-proline 0 N--CA 1.454 -0.265 0 N-CA-C 106.565 -1.643 . . . . 10.0 106.565 170.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -79.58 51.52 3.91 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.737 2.291 . . . . 10.0 111.824 -173.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.09 -52.72 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 124.715 1.206 . . . . 10.0 112.968 -176.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -125.84 32.45 5.27 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 170.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 45.8 26.7 0.39 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.143 1.777 . . . . 10.0 112.831 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.5 t80 62.99 -59.58 0.14 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.872 2.469 . . . . 10.0 111.654 -169.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -46.48 18.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 126.131 1.824 . . . . 10.0 112.854 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.94 -26.69 60.64 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.407 1.103 . . . . 10.0 110.775 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.46 -49.34 75.8 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 107.746 -1.205 . . . . 10.0 107.746 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -56.41 -48.03 77.79 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -54.79 -52.79 61.52 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.895 -0.503 . . . . 10.0 110.756 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -55.26 -49.67 71.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.679 0.392 . . . . 10.0 110.085 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -54.06 -49.49 68.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.028 0.931 . . . . 10.0 110.294 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -59.69 -47.51 85.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.533 0.733 . . . . 10.0 110.323 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.83 -46.3 84.91 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -58.17 -46.08 86.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.118 0.567 . . . . 10.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -54.32 48.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.362 0.528 . . . . 10.0 109.652 172.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.45 -43.8 68.36 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.008 0.923 . . . . 10.0 112.099 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -78.85 -45.59 20.43 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.803 0.274 . . . . 10.0 110.995 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.83 -45.7 93.23 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.45 1.024 . . . . 10.0 112.422 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 116.799 -1.572 . . . . 10.0 110.815 177.871 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 p90 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.631 0.253 . . . . 10.0 110.972 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 80.7 t -83.76 131.73 51.06 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 106.529 -1.656 . . . . 10.0 106.529 169.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.4 56.39 5.5 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.84 2.36 . . . . 10.0 111.03 -178.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -53.52 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 C-N-CA 124.463 1.105 . . . . 10.0 113.394 -169.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -118.84 35.61 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.711 -1.588 . . . . 10.0 106.711 172.238 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m 57.39 65.62 1.32 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 -168.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -2.96 -60.15 0.0 OUTLIER 'General case' 0 C--N 1.342 0.244 0 C-N-CA 131.071 3.749 . . . . 10.0 115.942 -178.668 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.22 -40.62 1.9 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.171 1.367 . . . . 10.0 112.922 177.26 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -51.3 -38.52 53.35 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.774 0.787 . . . . 10.0 112.507 177.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.75 -38.92 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.918 0.781 . . . . 10.0 110.657 177.277 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -65.81 -46.24 79.34 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 176.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -48.74 73.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.311 0.244 . . . . 10.0 110.943 176.467 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.7 ttp -54.1 -53.45 53.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.462 0.705 . . . . 10.0 109.557 177.542 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.28 -45.23 76.18 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.575 -0.25 . . . . 10.0 111.371 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.85 -50.81 71.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.231 0.469 . . . . 10.0 110.555 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -58.98 -49.97 75.87 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.035 -0.415 . . . . 10.0 110.627 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -56.94 -47.07 81.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.492 0.317 . . . . 10.0 110.715 178.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -56.88 -50.49 72.33 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.169 0.587 . . . . 10.0 109.703 176.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -57.85 -46.73 84.36 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.625 -0.672 . . . . 10.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.23 -42.69 54.83 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.582 0.586 . . . . 10.0 112.582 -174.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.03 57.4 3.58 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.988 0.804 . . . . 10.0 113.109 -169.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 . . . . . 0 C--O 1.253 1.249 0 CA-C-O 116.757 -1.592 . . . . 10.0 108.979 179.237 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.8 t -101.0 131.21 23.6 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 123.367 0.667 . . . . 10.0 109.861 -171.671 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -78.72 61.41 8.02 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.653 2.236 . . . . 10.0 110.235 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -77.3 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 171.378 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.47 26.66 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 106.122 -1.807 . . . . 10.0 106.122 168.464 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m 70.49 100.55 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.227 1.411 . . . . 10.0 107.388 -166.48 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -48.33 -28.95 3.46 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -176.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.94 -39.68 5.15 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.205 0.907 . . . . 10.0 112.967 169.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.05 -49.83 70.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.964 0.906 . . . . 10.0 110.111 174.083 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.79 -36.93 76.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.016 -0.516 . . . . 10.0 110.29 -178.388 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -54.08 -50.93 65.68 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.261 0.937 . . . . 10.0 109.984 169.433 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -48.03 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.916 -0.49 . . . . 10.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.5 tpt -55.29 -49.54 71.83 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.592 0.357 . . . . 10.0 110.324 177.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.55 -44.74 73.14 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.798 0.839 . . . . 10.0 110.032 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.88 -52.92 63.67 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.838 0.745 . . . . 10.0 111.247 178.387 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -62.69 -37.94 88.43 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 119.359 -0.937 . . . . 10.0 111.417 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.89 -47.59 85.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.218 0.463 . . . . 10.0 110.091 177.083 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.87 -51.77 64.9 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.929 0.892 . . . . 10.0 108.7 175.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.09 -40.52 85.52 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 178.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.59 -40.72 92.77 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.57 -0.707 . . . . 10.0 110.105 174.074 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.23 58.97 1.91 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.157 0.884 . . . . 10.0 112.112 175.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.474 1.51 . . . . 10.0 108.87 174.415 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 p90 . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.533 0.206 . . . . 10.0 110.907 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.85 149.69 73.63 Favored Pre-proline 0 N--CA 1.455 -0.206 0 N-CA-C 107.174 -1.417 . . . . 10.0 107.174 171.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.31 50.8 3.47 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.117 2.544 . . . . 10.0 111.422 -175.715 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.53 -53.77 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 125.112 1.365 . . . . 10.0 112.795 -173.745 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -117.79 23.38 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.631 1.172 . . . . 10.0 108.533 175.233 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 93.18 -17.72 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.543 2.337 . . . . 10.0 110.801 -169.359 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 t80 73.74 -49.91 0.69 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 126.805 2.042 . . . . 10.0 113.089 176.145 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.95 -49.75 22.67 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.494 0.568 . . . . 10.0 111.721 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -40.56 95.27 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.112 -0.64 . . . . 10.0 111.179 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.32 -45.75 89.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -60.19 -38.6 83.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.228 -0.295 . . . . 10.0 111.626 174.785 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -65.35 -48.1 74.14 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.314 -0.866 . . . . 10.0 111.335 176.014 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.6 -43.77 84.95 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.226 0.466 . . . . 10.0 110.396 176.15 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.69 -48.95 76.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.373 1.069 . . . . 10.0 110.463 173.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -57.22 -50.71 72.02 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -57.16 -48.76 77.9 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.138 0.575 . . . . 10.0 110.401 178.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -54.56 -53.21 57.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.603 0.761 . . . . 10.0 109.91 178.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -57.96 -48.26 80.5 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.518 0.327 . . . . 10.0 110.711 178.501 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -54.8 -52.15 63.54 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.387 0.675 . . . . 10.0 111.305 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -67.28 -36.54 81.76 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 117.648 0.204 . . . . 10.0 111.208 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.58 -43.06 99.33 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.421 -0.672 . . . . 10.0 111.421 176.149 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 116.764 -1.589 . . . . 10.0 110.82 179.157 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.7 p90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.427 0.155 . . . . 10.0 111.049 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.77 124.01 82.02 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 106.394 -1.706 . . . . 10.0 106.394 169.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -79.59 52.34 4.25 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.406 2.071 . . . . 10.0 111.202 -174.209 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.526 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -48.72 -53.96 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.346 1.058 . . . . 10.0 112.869 -169.693 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.526 ' H ' HD12 ' A' ' 4' ' ' ILE . 10.0 m-85 -123.9 36.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.666 -1.605 . . . . 10.0 106.666 169.529 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.2 m 59.74 70.88 0.61 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 -169.847 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -12.24 -62.09 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 129.47 3.108 . . . . 10.0 115.445 -175.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.07 -46.4 5.19 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.427 1.013 . . . . 10.0 112.375 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -62.61 -44.46 96.24 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.374 0.67 . . . . 10.0 111.187 179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.65 -45.28 90.87 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 177.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -42.83 94.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.983 0.513 . . . . 10.0 109.946 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -64.81 -47.28 78.6 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.699 -0.626 . . . . 10.0 110.968 175.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -51.35 -45.76 62.45 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.065 0.546 . . . . 10.0 109.895 174.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.75 -47.75 70.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.999 -0.524 . . . . 10.0 110.772 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.86 -46.51 87.56 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 119.172 0.896 . . . . 10.0 110.878 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.19 -44.53 79.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.325 0.25 . . . . 10.0 110.627 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.92 -55.81 30.33 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 176.278 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -37.67 63.33 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.579 0.752 . . . . 10.0 111.774 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -35.2 46.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.608 0.763 . . . . 10.0 111.427 178.072 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -96.17 -53.05 3.77 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.38 0.536 . . . . 10.0 110.594 175.248 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.68 56.56 4.2 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.243 -1.36 . . . . 10.0 110.543 -176.508 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.109 0 N-CA-C 113.508 0.929 . . . . 10.0 113.508 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -130.76 38.24 3.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 77.95 107.26 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.138 1.375 . . . . 10.0 108.27 -169.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -51.69 -39.73 58.81 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.147 0.579 . . . . 10.0 112.11 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.27 -42.1 17.17 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.611 0.624 . . . . 10.0 112.353 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -67.34 -44.49 78.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.819 0.81 . . . . 10.0 110.315 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.37 -47.71 84.38 Favored 'General case' 0 CA--C 1.528 0.099 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -46.07 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -55.61 -50.71 69.41 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.783 -0.573 . . . . 10.0 110.396 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -55.17 -53.94 49.58 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.582 0.353 . . . . 10.0 110.093 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -49.44 -52.43 29.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.955 0.902 . . . . 10.0 110.521 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.18 -42.47 90.9 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.807 0.843 . . . . 10.0 110.229 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.42 -42.31 83.41 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.011 -0.431 . . . . 10.0 111.198 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.2 -46.7 82.64 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.716 -0.615 . . . . 10.0 109.798 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -58.82 -46.01 88.62 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 122.144 -0.347 . . . . 10.0 111.302 173.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.69 73.81 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.507 0.723 . . . . 10.0 110.47 178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.42 -48.71 66.51 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.783 0.265 . . . . 10.0 110.741 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 C-N-CA 123.439 0.543 . . . . 10.0 112.684 -173.326 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.186 0 N-CA-C 113.163 0.801 . . . . 10.0 113.163 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -131.15 40.31 3.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.689 -1.597 . . . . 10.0 106.689 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m 75.08 106.91 0.08 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.548 1.539 . . . . 10.0 108.925 -170.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.52 -32.47 62.94 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 119.315 -0.374 . . . . 10.0 111.956 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.98 -40.27 5.49 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.808 0.718 . . . . 10.0 112.907 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.92 -52.62 55.39 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.674 0.737 . . . . 10.0 110.064 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -45.88 82.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.212 1.005 . . . . 10.0 109.167 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -56.61 -51.32 69.12 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.017 0.927 . . . . 10.0 109.914 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.8 ttp-105 -56.03 -43.46 77.83 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.817 -0.552 . . . . 10.0 110.659 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mtp -56.51 -48.98 76.04 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.98 0.354 . . . . 10.0 110.571 174.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -52.28 -50.21 62.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.709 0.686 . . . . 10.0 110.465 174.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -56.59 -47.46 79.53 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 119.601 -0.238 . . . . 10.0 111.006 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.67 -47.87 83.03 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.156 0.435 . . . . 10.0 111.165 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -58.28 -51.78 68.36 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.158 -0.339 . . . . 10.0 110.32 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 ttm105 -56.91 -45.38 82.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.398 0.279 . . . . 10.0 110.311 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -59.92 -51.63 68.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.778 0.831 . . . . 10.0 111.482 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -66.24 -36.14 82.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.2 -0.6 . . . . 10.0 110.944 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.429 -0.668 . . . . 10.0 111.429 177.499 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 113.18 0.807 . . . . 10.0 113.18 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.47 16.95 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.215 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 m 68.24 108.87 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 -167.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -40.04 -40.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.472 1.509 . . . . 10.0 113.986 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.04 -44.85 2.91 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.523 1.535 . . . . 10.0 113.051 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.99 -49.28 78.3 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.804 0.802 . . . . 10.0 110.328 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.35 -37.87 87.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -61.03 -50.79 71.92 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -56.5 -47.35 79.48 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.287 -0.258 . . . . 10.0 110.533 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.5 mtp -56.41 -47.67 78.52 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.1 -0.375 . . . . 10.0 110.819 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -57.65 -49.63 75.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.959 0.504 . . . . 10.0 110.293 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.86 -48.8 74.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.377 0.671 . . . . 10.0 110.4 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.97 -49.39 78.07 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.755 0.422 . . . . 10.0 110.545 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.7 -51.25 61.15 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.2 0.6 . . . . 10.0 109.81 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 4.3 mmp_? -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.869 0.322 . . . . 10.0 111.869 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.25 -44.15 83.59 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.621 0.368 . . . . 10.0 110.674 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -65.51 -64.7 0.8 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.836 -0.431 . . . . 10.0 109.836 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.849 0 N-CA-C 111.268 -0.733 . . . . 10.0 111.268 -177.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.249 0 N-CA-C 113.045 0.757 . . . . 10.0 113.045 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -132.91 35.47 3.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 166.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 80.24 108.47 0.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.676 1.59 . . . . 10.0 108.234 -168.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -54.79 -41.71 70.9 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.436 0.694 . . . . 10.0 111.48 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.47 19.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 123.913 0.768 . . . . 10.0 112.058 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.24 -33.77 73.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 117.65 0.725 . . . . 10.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -65.6 -33.7 76.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.773 0.715 . . . . 10.0 110.306 171.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -69.66 -45.08 69.21 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.034 -1.041 . . . . 10.0 109.412 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -54.93 -49.5 71.17 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.046 0.538 . . . . 10.0 110.643 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -54.8 -55.08 33.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.11 0.564 . . . . 10.0 109.859 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -50.96 -49.99 58.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.902 0.319 . . . . 10.0 110.702 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.46 -48.88 65.58 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.718 0.807 . . . . 10.0 110.243 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.55 -48.17 78.59 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.755 0.252 . . . . 10.0 110.619 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.57 -32.69 58.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.898 -0.573 . . . . 10.0 112.364 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -43.05 -38.32 2.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.687 0.676 . . . . 10.0 112.048 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -58.3 -27.24 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -68.59 -31.95 71.5 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.736 0.698 . . . . 10.0 110.344 174.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.876 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 174.259 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.42 ' CD1' ' H ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 112.653 0.612 . . . . 10.0 112.653 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.42 ' H ' ' CD1' ' A' ' 4' ' ' ILE . 7.6 m-85 -124.22 36.89 4.52 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.953 -1.499 . . . . 10.0 106.953 170.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.02 20.26 3.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.404 1.482 . . . . 10.0 113.549 174.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.8 t80 64.35 -60.85 0.2 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.592 2.357 . . . . 10.0 111.234 -168.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.58 -42.13 10.0 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 126.678 2.085 . . . . 10.0 113.038 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.86 -39.53 83.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.124 0.962 . . . . 10.0 109.576 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -41.52 84.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.613 0.765 . . . . 10.0 109.023 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -57.92 -50.24 74.01 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.521 -0.737 . . . . 10.0 109.747 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.92 -44.85 82.85 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.027 -0.421 . . . . 10.0 110.84 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.0 tpt -57.55 -51.96 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.832 -0.542 . . . . 10.0 110.256 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.11 -45.7 79.4 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.187 -0.32 . . . . 10.0 111.208 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.71 -53.76 47.58 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.345 1.058 . . . . 10.0 109.807 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -56.16 -54.56 43.72 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.729 0.412 . . . . 10.0 110.281 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.11 -53.97 42.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.079 0.552 . . . . 10.0 110.997 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -31.96 73.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.923 -0.486 . . . . 10.0 111.215 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -43.04 93.54 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.883 0.765 . . . . 10.0 110.331 173.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -68.06 -37.04 80.82 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.214 0.605 . . . . 10.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.152 0 C-N-CA 124.283 0.944 . . . . 10.0 113.607 -175.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.582 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.428 0 N-CA-C 112.391 0.515 . . . . 10.0 112.391 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.582 ' H ' HD12 ' A' ' 4' ' ' ILE . 20.2 m-85 -125.92 42.48 3.29 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.839 -1.911 . . . . 10.0 105.839 168.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.64 19.55 5.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.143 1.377 . . . . 10.0 113.075 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.6 t80 62.95 -59.4 0.14 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 128.116 2.566 . . . . 10.0 112.027 -169.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.31 -47.35 21.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.498 1.523 . . . . 10.0 112.463 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.63 -43.91 95.44 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.476 0.638 . . . . 10.0 109.692 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.63 -49.88 74.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.81 -40.29 92.17 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.193 -0.317 . . . . 10.0 110.768 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -59.47 -50.4 74.05 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.715 -0.616 . . . . 10.0 110.371 175.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.3 ttt -55.42 -51.56 66.47 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -50.35 59.65 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.212 1.005 . . . . 10.0 109.946 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.89 -51.83 66.21 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.473 0.709 . . . . 10.0 109.511 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.47 -47.52 79.02 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.034 0.134 . . . . 10.0 110.829 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.24 -57.13 13.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.855 -0.593 . . . . 10.0 110.8 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -64.52 -38.67 91.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.165 0.893 . . . . 10.0 111.608 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.75 -46.13 81.58 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.62 0.768 . . . . 10.0 111.202 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.99 -57.22 2.71 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.076 0.551 . . . . 10.0 110.55 -173.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.813 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 177.825 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 121.309 0.576 . . . . 10.0 109.848 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -113.51 16.49 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.785 1.234 . . . . 10.0 108.501 169.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 86.54 100.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.592 1.957 . . . . 10.0 107.442 -167.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -35.63 -49.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.772 1.629 . . . . 10.0 113.83 -171.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -53.73 3.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.723 1.154 . . . . 10.0 112.958 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.76 -34.89 76.35 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 118.235 1.017 . . . . 10.0 111.182 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.5 -40.01 94.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.813 0.733 . . . . 10.0 109.743 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -60.77 -48.98 79.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.532 -0.73 . . . . 10.0 110.474 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -60.2 -39.54 86.91 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.53 -0.731 . . . . 10.0 112.387 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.9 mtp -58.03 -50.71 72.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.385 0.538 . . . . 10.0 109.82 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -55.86 -47.17 77.8 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.357 -0.214 . . . . 10.0 110.959 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.03 -47.93 81.59 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.213 0.461 . . . . 10.0 110.4 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -60.15 -47.3 86.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.851 0.46 . . . . 10.0 110.278 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -48.9 72.54 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.904 0.482 . . . . 10.0 110.02 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -50.67 72.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.16 0.584 . . . . 10.0 109.691 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -44.28 68.91 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.96 0.904 . . . . 10.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -65.99 -49.5 67.58 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.833 0 C-N-CA 124.364 0.983 . . . . 10.0 111.675 178.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -117.04 30.14 7.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.921 -1.881 . . . . 10.0 105.921 168.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 m 67.36 89.3 0.1 Allowed 'General case' 0 C--N 1.342 0.281 0 N-CA-C 107.118 -1.438 . . . . 10.0 107.118 -167.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -31.53 -47.01 0.11 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.118 1.767 . . . . 10.0 115.34 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.14 -41.5 6.3 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.832 0.73 . . . . 10.0 113.04 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.09 -53.52 57.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.628 1.171 . . . . 10.0 110.164 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.7 -41.59 95.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -57.46 -47.49 81.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -62.34 -42.3 99.27 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.779 -0.576 . . . . 10.0 111.66 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 54.9 mtt -55.84 -48.42 75.51 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.212 0.46 . . . . 10.0 110.064 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -57.52 -48.16 80.02 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.968 0.507 . . . . 10.0 110.675 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -54.8 -50.33 68.81 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.277 0.49 . . . . 10.0 109.789 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.74 -40.64 95.81 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.315 -0.241 . . . . 10.0 110.966 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -57.13 -54.88 41.76 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.692 -0.63 . . . . 10.0 109.461 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -59.49 -30.98 68.93 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.867 -0.52 . . . . 10.0 112.172 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -35.5 60.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.822 0.737 . . . . 10.0 110.571 172.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -87.82 -53.84 4.55 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.204 0.602 . . . . 10.0 110.144 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.871 0 C-N-CA 124.435 1.017 . . . . 10.0 112.455 -174.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.56 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 113.674 0.99 . . . . 10.0 113.674 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.56 ' H ' HD12 ' A' ' 4' ' ' ILE . 3.7 m-85 -118.04 20.77 13.13 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 124.44 1.096 . . . . 10.0 108.895 172.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m 82.32 112.62 0.06 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.734 1.614 . . . . 10.0 107.203 -167.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -54.89 -37.4 66.26 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.673 -0.642 . . . . 10.0 111.979 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.85 -45.16 55.77 Favored Glycine 0 CA--C 1.532 1.126 0 N-CA-C 111.753 -0.539 . . . . 10.0 111.753 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.44 -41.49 80.22 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.996 -0.708 . . . . 10.0 109.419 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -41.88 74.07 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.431 0.292 . . . . 10.0 110.613 177.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.83 -44.93 76.07 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.339 -0.851 . . . . 10.0 111.53 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -55.78 -38.91 70.52 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.438 -0.789 . . . . 10.0 111.51 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.4 mtt -55.89 -44.9 78.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.675 0.67 . . . . 10.0 110.571 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -60.5 -48.29 82.41 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.13 -47.24 78.53 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.5 -52.11 65.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.457 1.103 . . . . 10.0 110.744 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.89 -39.27 93.79 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.958 0.799 . . . . 10.0 110.414 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -49.33 77.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 174.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -41.67 83.22 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 122.857 0.463 . . . . 10.0 110.481 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.1 -45.17 91.58 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.28 0 C-N-CA 123.726 0.679 . . . . 10.0 112.341 173.697 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.059 0 N-CA-C 114.042 1.127 . . . . 10.0 114.042 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -124.01 29.86 6.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.183 -1.414 . . . . 10.0 107.183 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m 65.14 99.46 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 -167.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -49.76 -40.85 42.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -170.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.7 -45.26 79.09 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 111.76 -0.536 . . . . 10.0 111.76 175.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.45 -44.44 82.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.24 -51.99 64.83 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.003 0.43 . . . . 10.0 109.844 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.68 -46.55 77.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.056 0.943 . . . . 10.0 110.126 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -63.72 -43.93 95.09 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.104 0.411 . . . . 10.0 111.575 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 57.5 ttp -56.51 -47.25 79.73 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.78 -0.575 . . . . 10.0 109.583 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.24 -45.46 87.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.555 0.342 . . . . 10.0 110.119 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.2 -51.75 65.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.597 0.759 . . . . 10.0 110.011 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.42 -47.87 80.64 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.151 0.58 . . . . 10.0 110.296 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.6 -57.78 9.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.656 . . . . 10.0 110.475 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -65.42 -37.36 86.71 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.898 0.317 . . . . 10.0 111.269 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -58.26 -45.66 87.42 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.182 0.447 . . . . 10.0 111.049 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.29 -51.13 65.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 C-N-CA 123.944 0.783 . . . . 10.0 113.207 -177.334 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 112.931 0.715 . . . . 10.0 112.931 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -124.59 33.07 5.32 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 168.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m 86.08 114.31 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.149 1.78 . . . . 10.0 109.026 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.23 -40.03 64.23 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.846 0.458 . . . . 10.0 111.836 -177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.84 -44.43 55.42 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.446 -0.662 . . . . 10.0 111.446 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.95 -36.96 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.191 -0.593 . . . . 10.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.89 -50.78 71.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.471 0.578 . . . . 10.0 109.866 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -60.54 -46.53 89.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.688 0.395 . . . . 10.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -51.58 -53.12 41.53 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.993 -0.442 . . . . 10.0 110.425 174.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -54.74 -51.29 66.11 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -51.51 -45.74 62.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.669 0.788 . . . . 10.0 111.19 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.14 -50.0 73.63 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -54.46 -34.82 62.22 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.72 -38.02 60.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.577 1.08 . . . . 10.0 112.189 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.54 -41.51 88.6 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.474 -0.766 . . . . 10.0 109.208 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -44.08 93.6 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.498 0.319 . . . . 10.0 110.317 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.31 -46.52 89.96 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 C-N-CA 123.445 0.545 . . . . 10.0 111.895 177.304 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 121.392 0.615 . . . . 10.0 112.575 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.82 22.59 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.809 -1.087 . . . . 10.0 108.505 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m 62.28 92.41 0.06 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.942 0.897 . . . . 10.0 108.745 -168.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -22.85 -55.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.209 2.204 . . . . 10.0 115.791 -170.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -46.05 1.6 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.451 1.024 . . . . 10.0 113.418 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.99 -50.36 73.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.544 0.672 . . . . 10.0 110.527 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -62.45 -44.04 97.36 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.91 -0.494 . . . . 10.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -57.25 -47.02 82.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.265 0.484 . . . . 10.0 110.483 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.3 mmm -55.88 -50.29 71.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.793 0.27 . . . . 10.0 110.81 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.33 -48.58 76.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.526 0.603 . . . . 10.0 111.046 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -56.48 -49.99 73.08 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.21 -0.306 . . . . 10.0 110.653 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.18 -50.99 69.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.964 0.505 . . . . 10.0 110.271 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -54.63 -47.07 73.93 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.596 0.759 . . . . 10.0 110.408 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -63.19 -45.23 92.71 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.965 0.348 . . . . 10.0 111.338 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -59.81 -37.97 80.65 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 122.879 0.472 . . . . 10.0 110.412 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -64.62 -57.69 8.39 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.912 0 C-N-CA 125.549 1.547 . . . . 10.0 112.523 -174.702 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -115.92 34.54 4.91 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.169 -1.049 . . . . 10.0 108.169 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.89 112.67 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.261 1.824 . . . . 10.0 109.074 -172.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -45.07 -48.42 11.86 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.581 0.752 . . . . 10.0 111.726 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.55 -43.5 45.52 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 123.502 0.572 . . . . 10.0 112.058 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.15 -40.14 71.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.447 0.623 . . . . 10.0 110.718 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.01 -49.25 77.49 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.271 0.487 . . . . 10.0 109.721 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -61.21 -48.16 82.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.934 -0.478 . . . . 10.0 109.867 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -48.3 -53.32 17.74 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.895 0.878 . . . . 10.0 110.323 171.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -54.12 -49.24 69.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.827 0.451 . . . . 10.0 110.302 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -52.52 -49.23 65.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.408 0.549 . . . . 10.0 110.594 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.78 -47.8 73.5 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.493 0.588 . . . . 10.0 110.977 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -56.26 -47.52 78.39 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.119 0.418 . . . . 10.0 110.625 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.0 -48.92 77.31 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.562 -0.256 . . . . 10.0 111.088 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -59.45 -44.85 92.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.425 0.557 . . . . 10.0 110.715 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -57.22 -49.74 75.04 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.894 0.478 . . . . 10.0 110.946 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -70.12 -40.53 74.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.201 -0.6 . . . . 10.0 111.172 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.805 0 C-N-CA 124.722 1.153 . . . . 10.0 112.382 -174.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.281 0 N-CA-C 112.981 0.734 . . . . 10.0 112.981 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -127.87 33.46 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.71 -1.589 . . . . 10.0 106.71 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m 62.13 99.14 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.794 1.237 . . . . 10.0 109.304 -168.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -44.83 -43.66 8.9 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -169.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -51.14 40.65 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.692 -0.563 . . . . 10.0 111.692 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.31 -47.73 78.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.3 -54.04 42.11 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.109 0.48 . . . . 10.0 110.35 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.37 77.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.491 0.716 . . . . 10.0 109.48 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -58.33 -35.91 72.61 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.649 -0.657 . . . . 10.0 111.949 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.8 tpp -62.29 -40.3 95.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.117 0.872 . . . . 10.0 110.165 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.85 -50.08 69.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.14 0.882 . . . . 10.0 109.896 172.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.24 -45.36 84.01 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.646 -0.131 . . . . 10.0 110.646 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -55.2 35.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.155 0.982 . . . . 10.0 109.612 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -61.93 -38.2 87.55 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.004 -0.435 . . . . 10.0 111.147 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -59.76 -48.8 80.23 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.532 0.605 . . . . 10.0 110.853 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -58.46 -42.19 86.88 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 122.067 -0.395 . . . . 10.0 110.901 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -58.27 -50.18 74.52 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.109 0.564 . . . . 10.0 109.773 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 C-N-CA 124.37 0.986 . . . . 10.0 112.215 -178.094 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 112.393 0.516 . . . . 10.0 112.393 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.512 ' H ' HD12 ' A' ' 4' ' ' ILE . 13.0 m-85 -123.7 40.81 3.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 169.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m 61.86 11.51 4.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.675 1.19 . . . . 10.0 112.686 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 65.3 -57.02 0.3 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.455 2.302 . . . . 10.0 111.54 -168.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.64 -47.73 8.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.499 1.523 . . . . 10.0 112.613 -178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -64.9 -39.58 93.75 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 117.816 0.808 . . . . 10.0 110.139 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.21 -47.21 77.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.85 -39.75 95.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.84 -0.537 . . . . 10.0 110.865 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -58.11 -46.59 85.31 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.81 -0.557 . . . . 10.0 110.291 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.21 -50.35 73.13 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.952 -0.468 . . . . 10.0 110.458 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.9 -47.81 70.77 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.91 -0.494 . . . . 10.0 110.839 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.95 -47.62 77.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.323 0.649 . . . . 10.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -54.29 -50.75 66.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.021 0.528 . . . . 10.0 109.9 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -54.81 -52.05 63.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.71 0.232 . . . . 10.0 111.025 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -54.32 -49.61 69.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.767 0.427 . . . . 10.0 110.427 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -56.81 -49.78 74.34 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 123.718 0.807 . . . . 10.0 110.421 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.3 -37.49 85.74 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.27 -0.269 . . . . 10.0 111.199 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 173.506 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 N-CA-C 113.997 1.11 . . . . 10.0 113.997 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -130.1 36.03 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 168.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.41 110.64 0.06 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.67 1.588 . . . . 10.0 108.927 -171.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -53.53 -38.66 63.98 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.267 0.627 . . . . 10.0 111.527 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.02 -42.45 81.01 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.302 0.953 . . . . 10.0 112.338 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.59 -44.4 90.76 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.158 0.979 . . . . 10.0 109.548 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.72 -48.29 72.7 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 172.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.06 -39.99 91.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.34 0.518 . . . . 10.0 110.704 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.46 -55.78 29.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.16 -0.337 . . . . 10.0 110.617 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.7 ptm -64.35 -36.36 83.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.509 -0.876 . . . . 10.0 110.861 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -57.54 -48.39 79.43 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.76 0.824 . . . . 10.0 110.144 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -57.28 -49.92 74.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -57.11 -50.1 73.85 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.467 0.576 . . . . 10.0 110.981 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -53.41 -47.67 69.36 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.002 1.321 . . . . 10.0 110.21 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -64.12 -53.92 42.06 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -52.55 -43.66 65.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.906 1.282 . . . . 10.0 112.227 -169.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -56.45 -24.41 45.38 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.689 0.626 . . . . 10.0 112.689 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 N-CA-C 110.475 -1.05 . . . . 10.0 110.475 171.866 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 121.121 0.486 . . . . 10.0 111.692 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.27 27.57 7.48 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.542 -1.281 . . . . 10.0 107.542 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 75.99 107.33 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.301 -1.74 . . . . 10.0 106.301 -166.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.38 -44.24 24.03 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.78 -41.82 7.39 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.997 0.808 . . . . 10.0 112.628 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.11 -37.85 72.35 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.849 0.825 . . . . 10.0 111.402 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.69 -45.28 87.29 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -49.5 76.93 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -50.21 -48.36 54.36 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.333 0.653 . . . . 10.0 110.587 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.7 ttt -56.88 -47.1 81.27 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.06 0.391 . . . . 10.0 110.861 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -55.14 -48.48 73.63 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.867 -0.521 . . . . 10.0 110.566 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -60.48 -40.21 90.48 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.998 -0.439 . . . . 10.0 111.128 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.17 -50.79 72.3 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.262 0.483 . . . . 10.0 109.872 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -53.71 -51.41 63.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.641 0.376 . . . . 10.0 110.209 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -55.45 -49.41 72.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.947 0.499 . . . . 10.0 110.555 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -56.09 -50.0 72.26 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.876 0.87 . . . . 10.0 111.143 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -63.12 -38.61 91.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.724 0.238 . . . . 10.0 111.056 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 175.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.146 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -123.21 24.25 8.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.119 1.367 . . . . 10.0 107.485 168.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m 81.35 108.67 0.07 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.69 -1.596 . . . . 10.0 106.69 -167.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -53.4 -35.47 60.42 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 119.314 0.961 . . . . 10.0 112.142 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.3 -41.4 5.06 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.058 0.837 . . . . 10.0 112.901 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.22 -53.07 61.55 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.612 0.706 . . . . 10.0 109.616 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -36.61 80.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 10.0 109.989 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -66.03 -48.39 71.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.474 -0.766 . . . . 10.0 110.137 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -56.82 -49.05 76.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.38 0.672 . . . . 10.0 109.522 174.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.1 ttm -55.19 -49.7 71.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.512 0.325 . . . . 10.0 110.571 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -56.72 -47.95 78.81 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.015 0.37 . . . . 10.0 111.14 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -54.34 -51.91 63.23 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.174 0.443 . . . . 10.0 110.803 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -62.43 -46.17 89.77 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.18 -0.325 . . . . 10.0 110.526 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -54.36 -48.89 70.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.326 0.65 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -70.37 -39.65 74.46 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 118.197 0.453 . . . . 10.0 111.793 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.61 -46.64 73.86 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.854 0.462 . . . . 10.0 110.695 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -72.3 -59.73 2.59 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.537 0.684 . . . . 10.0 110.059 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 C-N-CA 125.431 1.491 . . . . 10.0 111.607 -173.181 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.082 0 N-CA-C 113.627 0.973 . . . . 10.0 113.627 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -115.97 24.37 11.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.274 1.03 . . . . 10.0 108.35 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m 78.93 111.07 0.07 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -166.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -49.37 -42.31 41.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.665 0.745 . . . . 10.0 111.191 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.44 -37.7 12.75 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 126.029 1.776 . . . . 10.0 113.652 173.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.44 -51.95 67.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 117.993 0.896 . . . . 10.0 108.85 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 mt -62.15 -33.97 75.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.549 -0.167 . . . . 10.0 110.549 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.24 -47.54 81.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.042 -0.663 . . . . 10.0 109.257 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -58.06 -44.91 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.834 -0.542 . . . . 10.0 111.113 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 93.9 mmm -54.18 -45.2 72.05 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.263 0.483 . . . . 10.0 110.148 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.53 -40.94 88.84 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.317 0.508 . . . . 10.0 111.524 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -55.0 -48.95 72.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.69 0.677 . . . . 10.0 110.206 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -58.58 -47.23 84.96 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 117.916 0.325 . . . . 10.0 111.147 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.47 -51.57 62.31 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.235 0.614 . . . . 10.0 109.983 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -60.81 -44.28 97.09 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 110.542 -0.17 . . . . 10.0 110.542 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -42.63 85.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.838 0.455 . . . . 10.0 110.399 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -66.92 -48.4 68.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.428 0.691 . . . . 10.0 110.181 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 C-N-CA 124.343 0.973 . . . . 10.0 111.13 178.849 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -125.84 32.45 5.27 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 170.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 45.8 26.7 0.39 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.143 1.777 . . . . 10.0 112.831 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.5 t80 62.99 -59.58 0.14 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.872 2.469 . . . . 10.0 111.654 -169.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -46.48 18.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 126.131 1.824 . . . . 10.0 112.854 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.94 -26.69 60.64 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.407 1.103 . . . . 10.0 110.775 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.46 -49.34 75.8 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 107.746 -1.205 . . . . 10.0 107.746 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.41 -48.03 77.79 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -54.79 -52.79 61.52 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.895 -0.503 . . . . 10.0 110.756 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -55.26 -49.67 71.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.679 0.392 . . . . 10.0 110.085 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -54.06 -49.49 68.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.028 0.931 . . . . 10.0 110.294 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -59.69 -47.51 85.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.533 0.733 . . . . 10.0 110.323 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.83 -46.3 84.91 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -58.17 -46.08 86.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.118 0.567 . . . . 10.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -54.32 48.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.362 0.528 . . . . 10.0 109.652 172.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.45 -43.8 68.36 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.008 0.923 . . . . 10.0 112.099 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -78.85 -45.59 20.43 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.803 0.274 . . . . 10.0 110.995 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.797 0 C-N-CA 124.45 1.024 . . . . 10.0 112.422 -176.022 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 N-CA-C 113.394 0.886 . . . . 10.0 113.394 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -118.84 35.61 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.711 -1.588 . . . . 10.0 106.711 172.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m 57.39 65.62 1.32 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 -168.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -2.96 -60.15 0.0 OUTLIER 'General case' 0 C--N 1.342 0.244 0 C-N-CA 131.071 3.749 . . . . 10.0 115.942 -178.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.22 -40.62 1.9 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.171 1.367 . . . . 10.0 112.922 177.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -51.3 -38.52 53.35 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.774 0.787 . . . . 10.0 112.507 177.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.75 -38.92 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.918 0.781 . . . . 10.0 110.657 177.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -65.81 -46.24 79.34 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 176.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -48.74 73.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.311 0.244 . . . . 10.0 110.943 176.467 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.7 ttp -54.1 -53.45 53.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.462 0.705 . . . . 10.0 109.557 177.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.28 -45.23 76.18 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.575 -0.25 . . . . 10.0 111.371 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.85 -50.81 71.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.231 0.469 . . . . 10.0 110.555 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -58.98 -49.97 75.87 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.035 -0.415 . . . . 10.0 110.627 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -56.94 -47.07 81.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.492 0.317 . . . . 10.0 110.715 178.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -56.88 -50.49 72.33 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.169 0.587 . . . . 10.0 109.703 176.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -57.85 -46.73 84.36 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.625 -0.672 . . . . 10.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.23 -42.69 54.83 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.582 0.586 . . . . 10.0 112.582 -174.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 C-N-CA 123.988 0.804 . . . . 10.0 113.109 -169.368 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.47 26.66 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 106.122 -1.807 . . . . 10.0 106.122 168.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m 70.49 100.55 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.227 1.411 . . . . 10.0 107.388 -166.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -48.33 -28.95 3.46 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -176.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.94 -39.68 5.15 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.205 0.907 . . . . 10.0 112.967 169.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.05 -49.83 70.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.964 0.906 . . . . 10.0 110.111 174.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.79 -36.93 76.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.016 -0.516 . . . . 10.0 110.29 -178.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -54.08 -50.93 65.68 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.261 0.937 . . . . 10.0 109.984 169.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -48.03 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.916 -0.49 . . . . 10.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.5 tpt -55.29 -49.54 71.83 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.592 0.357 . . . . 10.0 110.324 177.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.55 -44.74 73.14 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.798 0.839 . . . . 10.0 110.032 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.88 -52.92 63.67 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.838 0.745 . . . . 10.0 111.247 178.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -62.69 -37.94 88.43 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 119.359 -0.937 . . . . 10.0 111.417 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.89 -47.59 85.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.218 0.463 . . . . 10.0 110.091 177.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.87 -51.77 64.9 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.929 0.892 . . . . 10.0 108.7 175.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.09 -40.52 85.52 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 178.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.59 -40.72 92.77 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.57 -0.707 . . . . 10.0 110.105 174.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.097 0 C-N-CA 124.157 0.884 . . . . 10.0 112.112 175.935 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.312 0 N-CA-C 112.795 0.665 . . . . 10.0 112.795 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -117.79 23.38 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.631 1.172 . . . . 10.0 108.533 175.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 93.18 -17.72 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.543 2.337 . . . . 10.0 110.801 -169.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 t80 73.74 -49.91 0.69 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 126.805 2.042 . . . . 10.0 113.089 176.145 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.95 -49.75 22.67 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.494 0.568 . . . . 10.0 111.721 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -40.56 95.27 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.112 -0.64 . . . . 10.0 111.179 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.32 -45.75 89.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -60.19 -38.6 83.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.228 -0.295 . . . . 10.0 111.626 174.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -65.35 -48.1 74.14 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.314 -0.866 . . . . 10.0 111.335 176.014 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.6 -43.77 84.95 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.226 0.466 . . . . 10.0 110.396 176.15 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.69 -48.95 76.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.373 1.069 . . . . 10.0 110.463 173.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -57.22 -50.71 72.02 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -57.16 -48.76 77.9 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.138 0.575 . . . . 10.0 110.401 178.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -54.56 -53.21 57.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.603 0.761 . . . . 10.0 109.91 178.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -57.96 -48.26 80.5 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.518 0.327 . . . . 10.0 110.711 178.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -54.8 -52.15 63.54 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.387 0.675 . . . . 10.0 111.305 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -67.28 -36.54 81.76 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 117.648 0.204 . . . . 10.0 111.208 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.421 -0.672 . . . . 10.0 111.421 176.149 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.526 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.327 0 N-CA-C 112.869 0.692 . . . . 10.0 112.869 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.526 ' H ' HD12 ' A' ' 4' ' ' ILE . 10.0 m-85 -123.9 36.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.666 -1.605 . . . . 10.0 106.666 169.529 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.2 m 59.74 70.88 0.61 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 -169.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -12.24 -62.09 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 129.47 3.108 . . . . 10.0 115.445 -175.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.07 -46.4 5.19 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.427 1.013 . . . . 10.0 112.375 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -62.61 -44.46 96.24 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.374 0.67 . . . . 10.0 111.187 179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.65 -45.28 90.87 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 177.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -42.83 94.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.983 0.513 . . . . 10.0 109.946 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -64.81 -47.28 78.6 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.699 -0.626 . . . . 10.0 110.968 175.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -51.35 -45.76 62.45 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.065 0.546 . . . . 10.0 109.895 174.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.75 -47.75 70.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.999 -0.524 . . . . 10.0 110.772 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.86 -46.51 87.56 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 119.172 0.896 . . . . 10.0 110.878 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.19 -44.53 79.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.325 0.25 . . . . 10.0 110.627 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.92 -55.81 30.33 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 176.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -37.67 63.33 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.579 0.752 . . . . 10.0 111.774 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -35.2 46.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.608 0.763 . . . . 10.0 111.427 178.072 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -96.17 -53.05 3.77 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.38 0.536 . . . . 10.0 110.594 175.248 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 -179.086 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.5 p90 . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 120.433 0.158 . . . . 10.0 111.153 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.9 t -88.78 124.8 64.69 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 106.424 -1.695 . . . . 10.0 106.424 169.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -79.08 57.15 6.34 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.313 2.009 . . . . 10.0 110.344 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -56.07 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.109 0 C-N-CA 126.227 1.811 . . . . 10.0 113.508 -169.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -130.76 38.24 3.72 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 77.95 107.26 0.08 Allowed 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.138 1.375 . . . . 10.0 108.27 -169.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -51.69 -39.73 58.81 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.147 0.579 . . . . 10.0 112.11 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.27 -42.1 17.17 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 123.611 0.624 . . . . 10.0 112.353 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -67.34 -44.49 78.94 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.819 0.81 . . . . 10.0 110.315 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.37 -47.71 84.38 Favored 'General case' 0 CA--C 1.528 0.099 0 N-CA-C 109.562 -0.533 . . . . 10.0 109.562 176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -46.07 89.87 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.614 -0.513 . . . . 10.0 109.614 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -55.61 -50.71 69.41 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.783 -0.573 . . . . 10.0 110.396 175.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -55.17 -53.94 49.58 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.582 0.353 . . . . 10.0 110.093 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -49.44 -52.43 29.04 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.955 0.902 . . . . 10.0 110.521 175.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.18 -42.47 90.9 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 123.807 0.843 . . . . 10.0 110.229 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -67.42 -42.31 83.41 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 122.011 -0.431 . . . . 10.0 111.198 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -57.2 -46.7 82.64 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.716 -0.615 . . . . 10.0 109.798 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -58.82 -46.01 88.62 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 122.144 -0.347 . . . . 10.0 111.302 173.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.99 -43.69 73.81 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.507 0.723 . . . . 10.0 110.47 178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.42 -48.71 66.51 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 117.783 0.265 . . . . 10.0 110.741 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.96 -50.27 61.94 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.439 0.543 . . . . 10.0 112.684 -173.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.202 -1.38 . . . . 10.0 110.093 -177.839 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.126 -0.324 . . . . 10.0 110.126 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -135.77 121.88 14.04 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 106.116 -1.809 . . . . 10.0 106.116 172.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -80.53 55.05 5.51 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 122.187 1.925 . . . . 10.0 110.827 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.08 -54.19 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 C-N-CA 125.311 1.444 . . . . 10.0 113.163 -169.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -131.15 40.31 3.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 106.689 -1.597 . . . . 10.0 106.689 167.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m 75.08 106.91 0.08 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.548 1.539 . . . . 10.0 108.925 -170.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -55.52 -32.47 62.94 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-O 119.315 -0.374 . . . . 10.0 111.956 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.98 -40.27 5.49 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 123.808 0.718 . . . . 10.0 112.907 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.92 -52.62 55.39 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 117.674 0.737 . . . . 10.0 110.064 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -45.88 82.55 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.212 1.005 . . . . 10.0 109.167 178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -56.61 -51.32 69.12 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.017 0.927 . . . . 10.0 109.914 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.8 ttp-105 -56.03 -43.46 77.83 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.817 -0.552 . . . . 10.0 110.659 177.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mtp -56.51 -48.98 76.04 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.98 0.354 . . . . 10.0 110.571 174.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -52.28 -50.21 62.59 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 118.709 0.686 . . . . 10.0 110.465 174.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -56.59 -47.46 79.53 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 119.601 -0.238 . . . . 10.0 111.006 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.67 -47.87 83.03 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.156 0.435 . . . . 10.0 111.165 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -58.28 -51.78 68.36 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 122.158 -0.339 . . . . 10.0 110.32 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.2 ttm105 -56.91 -45.38 82.69 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.398 0.279 . . . . 10.0 110.311 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -59.92 -51.63 68.88 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.778 0.831 . . . . 10.0 111.482 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -66.24 -36.14 82.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.2 -0.6 . . . . 10.0 110.944 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.12 -56.39 24.17 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.429 -0.668 . . . . 10.0 111.429 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 . . . . . 0 C--O 1.25 1.127 0 C-N-CA 126.354 1.862 . . . . 10.0 113.429 -177.309 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 45.9 t80 . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.059 -0.349 . . . . 10.0 110.059 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 p -167.0 119.62 0.77 Allowed Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 124.7 1.2 . . . . 10.0 108.031 175.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.23 59.57 7.09 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.646 2.231 . . . . 10.0 109.612 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.37 -55.73 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 C-N-CA 126.078 1.751 . . . . 10.0 113.18 -169.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -116.47 16.95 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.215 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 m 68.24 108.87 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 -167.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -40.04 -40.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 125.472 1.509 . . . . 10.0 113.986 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.04 -44.85 2.91 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.523 1.535 . . . . 10.0 113.051 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.99 -49.28 78.3 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.804 0.802 . . . . 10.0 110.328 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.35 -37.87 87.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 110.314 -0.254 . . . . 10.0 110.314 178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -61.03 -50.79 71.92 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 176.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -56.5 -47.35 79.48 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.287 -0.258 . . . . 10.0 110.533 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.5 mtp -56.41 -47.67 78.52 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 122.1 -0.375 . . . . 10.0 110.819 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -57.65 -49.63 75.84 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.959 0.504 . . . . 10.0 110.293 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -55.86 -48.8 74.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.377 0.671 . . . . 10.0 110.4 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -58.97 -49.39 78.07 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.755 0.422 . . . . 10.0 110.545 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -52.7 -51.25 61.15 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.2 0.6 . . . . 10.0 109.81 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 4.3 mmp_? -66.35 -40.75 90.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.869 0.322 . . . . 10.0 111.869 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -57.25 -44.15 83.59 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.621 0.368 . . . . 10.0 110.674 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -65.51 -64.7 0.8 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.836 -0.431 . . . . 10.0 109.836 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.27 52.57 4.33 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 111.268 -0.733 . . . . 10.0 111.268 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 . . . . . 0 C--O 1.252 1.225 0 CA-C-O 116.487 -1.72 . . . . 10.0 110.992 -174.563 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.7 t80 . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 111.697 0.258 . . . . 10.0 111.697 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 t 55.84 74.16 0.74 Allowed Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 124.723 1.209 . . . . 10.0 110.898 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.12 56.44 6.03 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.636 2.224 . . . . 10.0 112.306 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -44.29 -52.87 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 C-N-CA 125.154 1.382 . . . . 10.0 113.045 -172.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -132.91 35.47 3.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.866 -1.531 . . . . 10.0 106.866 166.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 80.24 108.47 0.07 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.676 1.59 . . . . 10.0 108.234 -168.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -54.79 -41.71 70.9 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.436 0.694 . . . . 10.0 111.48 -170.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.06 -44.47 19.12 Favored Glycine 0 CA--C 1.531 1.082 0 C-N-CA 123.913 0.768 . . . . 10.0 112.058 173.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -69.24 -33.77 73.8 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 117.65 0.725 . . . . 10.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.4 tp -65.6 -33.7 76.51 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.773 0.715 . . . . 10.0 110.306 171.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -69.66 -45.08 69.21 Favored 'General case' 0 CA--C 1.529 0.135 0 O-C-N 121.034 -1.041 . . . . 10.0 109.412 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -54.93 -49.5 71.17 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.046 0.538 . . . . 10.0 110.643 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -54.8 -55.08 33.97 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.11 0.564 . . . . 10.0 109.859 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -50.96 -49.99 58.89 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 117.902 0.319 . . . . 10.0 110.702 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -52.46 -48.88 65.58 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.718 0.807 . . . . 10.0 110.243 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.55 -48.17 78.59 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.755 0.252 . . . . 10.0 110.619 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -54.57 -32.69 58.94 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 118.898 -0.573 . . . . 10.0 112.364 -176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -43.05 -38.32 2.27 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.687 0.676 . . . . 10.0 112.048 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -58.3 -27.24 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.944 0.72 . . . . 10.0 112.944 -177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -68.59 -31.95 71.5 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.736 0.698 . . . . 10.0 110.344 174.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.31 -41.95 29.53 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.31 -1.116 . . . . 10.0 110.31 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 116.731 -1.604 . . . . 10.0 111.541 177.792 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 110.576 -0.157 . . . . 10.0 110.576 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.26 134.47 17.71 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 106.206 -1.775 . . . . 10.0 106.206 176.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.67 53.26 4.28 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 122.86 2.373 . . . . 10.0 111.972 -173.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.42 ' CD1' ' H ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -45.28 -55.01 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 C-N-CA 124.935 1.294 . . . . 10.0 112.653 -176.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.42 ' H ' ' CD1' ' A' ' 4' ' ' ILE . 7.6 m-85 -124.22 36.89 4.52 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.953 -1.499 . . . . 10.0 106.953 170.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.02 20.26 3.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.404 1.482 . . . . 10.0 113.549 174.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.8 t80 64.35 -60.85 0.2 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.592 2.357 . . . . 10.0 111.234 -168.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -45.58 -42.13 10.0 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 126.678 2.085 . . . . 10.0 113.038 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -67.86 -39.53 83.75 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.124 0.962 . . . . 10.0 109.576 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -41.52 84.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.613 0.765 . . . . 10.0 109.023 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -57.92 -50.24 74.01 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.521 -0.737 . . . . 10.0 109.747 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -56.92 -44.85 82.85 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 122.027 -0.421 . . . . 10.0 110.84 178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.0 tpt -57.55 -51.96 67.33 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.832 -0.542 . . . . 10.0 110.256 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -56.11 -45.7 79.4 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.187 -0.32 . . . . 10.0 111.208 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -53.71 -53.76 47.58 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.345 1.058 . . . . 10.0 109.807 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -56.16 -54.56 43.72 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.729 0.412 . . . . 10.0 110.281 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -53.11 -53.97 42.59 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.079 0.552 . . . . 10.0 110.997 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -31.96 73.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.923 -0.486 . . . . 10.0 111.215 -178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -43.04 93.54 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.883 0.765 . . . . 10.0 110.331 173.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -68.06 -37.04 80.82 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.214 0.605 . . . . 10.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.82 58.86 1.74 Allowed Glycine 0 CA--C 1.532 1.152 0 C-N-CA 124.283 0.944 . . . . 10.0 113.607 -175.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.128 0 C-N-CA 126.076 1.75 . . . . 10.0 108.105 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 110.717 -0.105 . . . . 10.0 110.717 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.61 120.99 83.12 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 107.442 -1.318 . . . . 10.0 107.442 169.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -80.5 48.78 2.99 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.497 2.131 . . . . 10.0 112.709 -168.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.582 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -47.58 -53.44 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 123.818 0.847 . . . . 10.0 112.391 -176.093 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.582 ' H ' HD12 ' A' ' 4' ' ' ILE . 20.2 m-85 -125.92 42.48 3.29 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 105.839 -1.911 . . . . 10.0 105.839 168.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.64 19.55 5.55 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.143 1.377 . . . . 10.0 113.075 176.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.6 t80 62.95 -59.4 0.14 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 128.116 2.566 . . . . 10.0 112.027 -169.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.31 -47.35 21.83 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.498 1.523 . . . . 10.0 112.463 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.63 -43.91 95.44 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 117.476 0.638 . . . . 10.0 109.692 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.63 -49.88 74.81 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.933 -0.765 . . . . 10.0 108.933 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.81 -40.29 92.17 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.193 -0.317 . . . . 10.0 110.768 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -59.47 -50.4 74.05 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.715 -0.616 . . . . 10.0 110.371 175.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 28.3 ttt -55.42 -51.56 66.47 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.35 -50.35 59.65 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.212 1.005 . . . . 10.0 109.946 176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -55.89 -51.83 66.21 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.473 0.709 . . . . 10.0 109.511 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.47 -47.52 79.02 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.034 0.134 . . . . 10.0 110.829 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.24 -57.13 13.06 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 118.855 -0.593 . . . . 10.0 110.8 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -64.52 -38.67 91.82 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.165 0.893 . . . . 10.0 111.608 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.75 -46.13 81.58 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 123.62 0.768 . . . . 10.0 111.202 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -92.99 -57.22 2.71 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.076 0.551 . . . . 10.0 110.55 -173.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.52 61.84 3.54 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 110.482 -1.047 . . . . 10.0 110.482 177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.353 -1.308 . . . . 10.0 110.506 -179.847 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.2 t80 . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 109.774 -0.454 . . . . 10.0 109.774 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -113.77 118.23 43.23 Favored Pre-proline 0 CA--C 1.533 0.32 0 N-CA-C 107.866 -1.161 . . . . 10.0 107.866 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -78.53 59.63 7.25 Favored 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.496 2.131 . . . . 10.0 110.678 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.59 -69.71 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.172 0 CA-C-O 121.309 0.576 . . . . 10.0 109.848 178.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -113.51 16.49 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.785 1.234 . . . . 10.0 108.501 169.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 86.54 100.03 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 126.592 1.957 . . . . 10.0 107.442 -167.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -35.63 -49.8 0.59 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.772 1.629 . . . . 10.0 113.83 -171.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.76 -53.73 3.64 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.723 1.154 . . . . 10.0 112.958 177.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.76 -34.89 76.35 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 118.235 1.017 . . . . 10.0 111.182 -176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.6 tp -64.5 -40.01 94.85 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.813 0.733 . . . . 10.0 109.743 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -60.77 -48.98 79.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.532 -0.73 . . . . 10.0 110.474 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtm-85 -60.2 -39.54 86.91 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.53 -0.731 . . . . 10.0 112.387 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.9 mtp -58.03 -50.71 72.47 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.385 0.538 . . . . 10.0 109.82 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -55.86 -47.17 77.8 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.357 -0.214 . . . . 10.0 110.959 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -58.03 -47.93 81.59 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.213 0.461 . . . . 10.0 110.4 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -60.15 -47.3 86.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.851 0.46 . . . . 10.0 110.278 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.94 -48.9 72.54 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.904 0.482 . . . . 10.0 110.02 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -50.67 72.49 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.16 0.584 . . . . 10.0 109.691 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -53.49 -44.28 68.91 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 123.96 0.904 . . . . 10.0 110.649 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -65.99 -49.5 67.58 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.15 61.73 2.2 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.364 0.983 . . . . 10.0 111.675 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 116.965 -1.493 . . . . 10.0 110.603 175.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.8 t80 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 110.669 -0.123 . . . . 10.0 110.669 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.3 t -142.32 132.1 12.32 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 107.331 -1.359 . . . . 10.0 107.331 174.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.54 60.93 8.01 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.618 2.212 . . . . 10.0 110.186 176.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -77.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.101 0 N-CA-C 108.575 -0.898 . . . . 10.0 108.575 172.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -117.04 30.14 7.5 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 105.921 -1.881 . . . . 10.0 105.921 168.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 m 67.36 89.3 0.1 Allowed 'General case' 0 C--N 1.342 0.281 0 N-CA-C 107.118 -1.438 . . . . 10.0 107.118 -167.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -31.53 -47.01 0.11 Allowed 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.118 1.767 . . . . 10.0 115.34 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.14 -41.5 6.3 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 123.832 0.73 . . . . 10.0 113.04 177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.09 -53.52 57.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.628 1.171 . . . . 10.0 110.164 174.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.7 -41.59 95.5 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.521 -0.548 . . . . 10.0 109.521 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -57.46 -47.49 81.72 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -62.34 -42.3 99.27 Favored 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.779 -0.576 . . . . 10.0 111.66 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 54.9 mtt -55.84 -48.42 75.51 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.212 0.46 . . . . 10.0 110.064 172.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -57.52 -48.16 80.02 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.968 0.507 . . . . 10.0 110.675 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -54.8 -50.33 68.81 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.277 0.49 . . . . 10.0 109.789 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -61.74 -40.64 95.81 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.315 -0.241 . . . . 10.0 110.966 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -57.13 -54.88 41.76 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.692 -0.63 . . . . 10.0 109.461 173.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -59.49 -30.98 68.93 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.867 -0.52 . . . . 10.0 112.172 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -53.32 -35.5 60.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.822 0.737 . . . . 10.0 110.571 172.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -87.82 -53.84 4.55 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.204 0.602 . . . . 10.0 110.144 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.12 -45.7 86.94 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.435 1.017 . . . . 10.0 112.455 -174.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 116.229 -1.843 . . . . 10.0 111.052 175.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.4 p90 . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 120.325 0.107 . . . . 10.0 110.988 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.4 m -97.32 115.69 65.78 Favored Pre-proline 0 CA--C 1.535 0.37 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 170.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.61 53.53 4.81 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.346 2.031 . . . . 10.0 111.023 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.56 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -51.51 -47.01 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.315 1.046 . . . . 10.0 113.674 -169.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.56 ' H ' HD12 ' A' ' 4' ' ' ILE . 3.7 m-85 -118.04 20.77 13.13 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 124.44 1.096 . . . . 10.0 108.895 172.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m 82.32 112.62 0.06 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.734 1.614 . . . . 10.0 107.203 -167.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -54.89 -37.4 66.26 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.673 -0.642 . . . . 10.0 111.979 -174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.85 -45.16 55.77 Favored Glycine 0 CA--C 1.532 1.126 0 N-CA-C 111.753 -0.539 . . . . 10.0 111.753 172.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -68.44 -41.49 80.22 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 121.996 -0.708 . . . . 10.0 109.419 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -41.88 74.07 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 122.431 0.292 . . . . 10.0 110.613 177.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -67.83 -44.93 76.07 Favored 'General case' 0 CA--C 1.529 0.164 0 O-C-N 121.339 -0.851 . . . . 10.0 111.53 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -55.78 -38.91 70.52 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.438 -0.789 . . . . 10.0 111.51 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.4 mtt -55.89 -44.9 78.62 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.675 0.67 . . . . 10.0 110.571 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -60.5 -48.29 82.41 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.13 -47.24 78.53 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -61.5 -52.11 65.88 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.457 1.103 . . . . 10.0 110.744 -177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -63.89 -39.27 93.79 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.958 0.799 . . . . 10.0 110.414 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -49.33 77.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 174.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -41.67 83.22 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 122.857 0.463 . . . . 10.0 110.481 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -59.1 -45.17 91.58 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.64 50.38 1.77 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.726 0.679 . . . . 10.0 112.341 173.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.112 -1.423 . . . . 10.0 111.34 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.8 t80 . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.6 -0.148 . . . . 10.0 110.6 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.0 t -139.82 133.34 15.43 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 106.407 -1.701 . . . . 10.0 106.407 172.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -76.41 62.95 7.1 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.831 2.354 . . . . 10.0 109.032 174.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -56.13 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.059 0 C-N-CA 125.891 1.676 . . . . 10.0 114.042 -168.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -124.01 29.86 6.32 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.183 -1.414 . . . . 10.0 107.183 171.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.3 m 65.14 99.46 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.135 -1.061 . . . . 10.0 108.135 -167.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -49.76 -40.85 42.56 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -170.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.7 -45.26 79.09 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 111.76 -0.536 . . . . 10.0 111.76 175.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.45 -44.44 82.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tt -55.24 -51.99 64.83 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.003 0.43 . . . . 10.0 109.844 175.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.68 -46.55 77.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.056 0.943 . . . . 10.0 110.126 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -63.72 -43.93 95.09 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.104 0.411 . . . . 10.0 111.575 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 57.5 ttp -56.51 -47.25 79.73 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.78 -0.575 . . . . 10.0 109.583 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -58.24 -45.46 87.74 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 122.555 0.342 . . . . 10.0 110.119 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.2 -51.75 65.56 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.597 0.759 . . . . 10.0 110.011 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -57.42 -47.87 80.64 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.151 0.58 . . . . 10.0 110.296 176.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.6 -57.78 9.53 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.339 0.656 . . . . 10.0 110.475 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -65.42 -37.36 86.71 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.898 0.317 . . . . 10.0 111.269 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -58.26 -45.66 87.42 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 118.182 0.447 . . . . 10.0 111.049 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -64.29 -51.13 65.04 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.71 -0.478 . . . . 10.0 109.71 171.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.26 52.87 3.05 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 123.944 0.783 . . . . 10.0 113.207 -177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 117.163 -1.399 . . . . 10.0 109.103 169.84 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 p90 . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 120.331 0.11 . . . . 10.0 111.048 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -118.56 112.9 36.86 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 107.579 -1.267 . . . . 10.0 107.579 174.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -82.98 53.06 4.22 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 122.124 1.883 . . . . 10.0 111.555 -171.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -46.87 -54.1 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.817 1.247 . . . . 10.0 112.931 -170.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -124.59 33.07 5.32 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 168.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m 86.08 114.31 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.149 1.78 . . . . 10.0 109.026 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -53.23 -40.03 64.23 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.846 0.458 . . . . 10.0 111.836 -177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.84 -44.43 55.42 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.446 -0.662 . . . . 10.0 111.446 174.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.95 -36.96 70.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.191 -0.593 . . . . 10.0 110.689 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.1 tp -56.89 -50.78 71.48 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.471 0.578 . . . . 10.0 109.866 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -60.54 -46.53 89.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.688 0.395 . . . . 10.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -51.58 -53.12 41.53 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.993 -0.442 . . . . 10.0 110.425 174.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -54.74 -51.29 66.11 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -51.51 -45.74 62.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.669 0.788 . . . . 10.0 111.19 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.14 -50.0 73.63 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 110.241 -0.281 . . . . 10.0 110.241 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -54.46 -34.82 62.22 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.783 -0.627 . . . . 10.0 111.761 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -52.72 -38.02 60.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.577 1.08 . . . . 10.0 112.189 173.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -66.54 -41.51 88.6 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.474 -0.766 . . . . 10.0 109.208 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -44.08 93.6 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.498 0.319 . . . . 10.0 110.317 176.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.31 -46.52 89.96 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 109.794 -0.447 . . . . 10.0 109.794 175.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.26 -45.19 83.74 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.445 0.545 . . . . 10.0 111.895 177.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.369 -1.301 . . . . 10.0 110.546 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.0 t80 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.85 108.25 7.64 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 124.168 0.987 . . . . 10.0 108.653 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -78.84 59.71 7.43 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.523 2.149 . . . . 10.0 110.212 -177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -56.42 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 126.118 1.767 . . . . 10.0 112.575 -171.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -117.82 22.59 12.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.809 -1.087 . . . . 10.0 108.505 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 m 62.28 92.41 0.06 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.942 0.897 . . . . 10.0 108.745 -168.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -22.85 -55.59 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 127.209 2.204 . . . . 10.0 115.791 -170.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -37.76 -46.05 1.6 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.451 1.024 . . . . 10.0 113.418 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.99 -50.36 73.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.544 0.672 . . . . 10.0 110.527 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -59.91 -45.43 92.58 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.509 -0.552 . . . . 10.0 109.509 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -62.45 -44.04 97.36 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.91 -0.494 . . . . 10.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.2 ttp-105 -57.25 -47.02 82.42 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.265 0.484 . . . . 10.0 110.483 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.3 mmm -55.88 -50.29 71.03 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.793 0.27 . . . . 10.0 110.81 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -56.33 -48.58 76.45 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.526 0.603 . . . . 10.0 111.046 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -56.48 -49.99 73.08 Favored 'General case' 0 CA--C 1.528 0.132 0 O-C-N 122.21 -0.306 . . . . 10.0 110.653 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -56.18 -50.99 69.64 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.964 0.505 . . . . 10.0 110.271 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -54.63 -47.07 73.93 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.596 0.759 . . . . 10.0 110.408 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -63.19 -45.23 92.71 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 117.965 0.348 . . . . 10.0 111.338 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -59.81 -37.97 80.65 Favored 'General case' 0 C--O 1.227 -0.086 0 C-N-CA 122.879 0.472 . . . . 10.0 110.412 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -64.62 -57.69 8.39 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 170.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.23 61.56 2.66 Favored Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.549 1.547 . . . . 10.0 112.523 -174.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 117.117 -1.42 . . . . 10.0 110.527 175.207 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 t80 . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 110.076 -0.342 . . . . 10.0 110.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.7 m -136.42 109.86 9.62 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 123.852 0.861 . . . . 10.0 109.095 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -80.76 108.59 2.12 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.327 2.018 . . . . 10.0 109.013 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.23 -72.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 124.151 0.98 . . . . 10.0 109.82 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -115.92 34.54 4.91 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.169 -1.049 . . . . 10.0 108.169 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.89 112.67 0.06 Allowed 'General case' 0 C--O 1.233 0.215 0 C-N-CA 126.261 1.824 . . . . 10.0 109.074 -172.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -45.07 -48.42 11.86 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 123.581 0.752 . . . . 10.0 111.726 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.55 -43.5 45.52 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 123.502 0.572 . . . . 10.0 112.058 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.15 -40.14 71.51 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.447 0.623 . . . . 10.0 110.718 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.01 -49.25 77.49 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 118.271 0.487 . . . . 10.0 109.721 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -61.21 -48.16 82.76 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 121.934 -0.478 . . . . 10.0 109.867 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -48.3 -53.32 17.74 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.895 0.878 . . . . 10.0 110.323 171.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -54.12 -49.24 69.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.827 0.451 . . . . 10.0 110.302 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -52.52 -49.23 65.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.408 0.549 . . . . 10.0 110.594 174.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -54.78 -47.8 73.5 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.493 0.588 . . . . 10.0 110.977 178.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -56.26 -47.52 78.39 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.119 0.418 . . . . 10.0 110.625 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -57.0 -48.92 77.31 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.562 -0.256 . . . . 10.0 111.088 177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -59.45 -44.85 92.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.425 0.557 . . . . 10.0 110.715 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -57.22 -49.74 75.04 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 122.894 0.478 . . . . 10.0 110.946 -178.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -70.12 -40.53 74.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 120.201 -0.6 . . . . 10.0 111.172 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.76 -43.12 99.52 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.722 1.153 . . . . 10.0 112.382 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.927 -1.035 . . . . 10.0 110.461 179.67 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.5 p90 . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 120.405 0.145 . . . . 10.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.18 123.05 84.89 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 107.068 -1.456 . . . . 10.0 107.068 169.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.38 53.91 4.98 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.306 2.004 . . . . 10.0 110.944 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.86 -53.51 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.69 1.196 . . . . 10.0 112.981 -171.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -127.87 33.46 4.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.71 -1.589 . . . . 10.0 106.71 169.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 m 62.13 99.14 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.794 1.237 . . . . 10.0 109.304 -168.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -44.83 -43.66 8.9 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -169.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -51.14 40.65 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.692 -0.563 . . . . 10.0 111.692 177.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -64.31 -47.73 78.32 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -53.3 -54.04 42.11 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.109 0.48 . . . . 10.0 110.35 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -49.37 77.0 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.491 0.716 . . . . 10.0 109.48 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -58.33 -35.91 72.61 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.649 -0.657 . . . . 10.0 111.949 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.8 tpp -62.29 -40.3 95.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.117 0.872 . . . . 10.0 110.165 173.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -54.85 -50.08 69.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 119.14 0.882 . . . . 10.0 109.896 172.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.24 -45.36 84.01 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 110.646 -0.131 . . . . 10.0 110.646 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.17 -55.2 35.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.155 0.982 . . . . 10.0 109.612 177.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -61.93 -38.2 87.55 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.004 -0.435 . . . . 10.0 111.147 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -59.76 -48.8 80.23 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.532 0.605 . . . . 10.0 110.853 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -58.46 -42.19 86.88 Favored 'General case' 0 CA--C 1.53 0.199 0 O-C-N 122.067 -0.395 . . . . 10.0 110.901 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -58.27 -50.18 74.52 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.109 0.564 . . . . 10.0 109.773 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.64 61.61 2.83 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.37 0.986 . . . . 10.0 112.215 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 . . . . . 0 C--O 1.25 1.126 0 C-N-CA 125.498 1.519 . . . . 10.0 108.949 172.169 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 p90 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 110.773 -0.084 . . . . 10.0 110.773 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.7 t -72.37 121.82 85.81 Favored Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 106.966 -1.494 . . . . 10.0 106.966 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.1 49.18 3.11 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.584 2.189 . . . . 10.0 111.98 -172.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -47.74 -53.99 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 124.35 1.06 . . . . 10.0 112.393 -174.747 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.512 ' H ' HD12 ' A' ' 4' ' ' ILE . 13.0 m-85 -123.7 40.81 3.63 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 106.161 -1.792 . . . . 10.0 106.161 169.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m 61.86 11.51 4.17 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.675 1.19 . . . . 10.0 112.686 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 65.3 -57.02 0.3 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.455 2.302 . . . . 10.0 111.54 -168.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.64 -47.73 8.98 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 125.499 1.523 . . . . 10.0 112.613 -178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -64.9 -39.58 93.75 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 117.816 0.808 . . . . 10.0 110.139 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.21 -47.21 77.67 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.8 -0.815 . . . . 10.0 108.8 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.85 -39.75 95.34 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.84 -0.537 . . . . 10.0 110.865 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -58.11 -46.59 85.31 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.81 -0.557 . . . . 10.0 110.291 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.21 -50.35 73.13 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.952 -0.468 . . . . 10.0 110.458 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.9 -47.81 70.77 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.91 -0.494 . . . . 10.0 110.839 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -55.95 -47.62 77.25 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.323 0.649 . . . . 10.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -54.29 -50.75 66.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.021 0.528 . . . . 10.0 109.9 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -54.81 -52.05 63.9 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 117.71 0.232 . . . . 10.0 111.025 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -54.32 -49.61 69.29 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.767 0.427 . . . . 10.0 110.427 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -56.81 -49.78 74.34 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 123.718 0.807 . . . . 10.0 110.421 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -62.3 -37.49 85.74 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.27 -0.269 . . . . 10.0 111.199 176.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.76 -50.75 61.34 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 117.126 -1.416 . . . . 10.0 109.665 176.64 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 p90 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 110.814 -0.069 . . . . 10.0 110.814 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.15 116.94 32.27 Favored Pre-proline 0 CA--C 1.537 0.473 0 N-CA-C 107.612 -1.255 . . . . 10.0 107.612 175.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.62 60.86 8.03 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.562 2.175 . . . . 10.0 111.325 -172.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -45.29 -53.18 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.458 -0.072 0 C-N-CA 125.306 1.442 . . . . 10.0 113.997 -169.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -130.1 36.03 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.99 -1.485 . . . . 10.0 106.99 168.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 m 83.41 110.64 0.06 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.67 1.588 . . . . 10.0 108.927 -171.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -53.53 -38.66 63.98 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.267 0.627 . . . . 10.0 111.527 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.02 -42.45 81.01 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.302 0.953 . . . . 10.0 112.338 175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.59 -44.4 90.76 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 118.158 0.979 . . . . 10.0 109.548 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.5 tp -54.72 -48.29 72.7 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 172.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -61.06 -39.99 91.96 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.34 0.518 . . . . 10.0 110.704 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -60.46 -55.78 29.33 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.16 -0.337 . . . . 10.0 110.617 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.7 ptm -64.35 -36.36 83.87 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 119.509 -0.876 . . . . 10.0 110.861 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -57.54 -48.39 79.43 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.76 0.824 . . . . 10.0 110.144 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -57.28 -49.92 74.55 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -57.11 -50.1 73.85 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.467 0.576 . . . . 10.0 110.981 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -53.41 -47.67 69.36 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.002 1.321 . . . . 10.0 110.21 -178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -64.12 -53.92 42.06 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 110.208 -0.293 . . . . 10.0 110.208 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -52.55 -43.66 65.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.906 1.282 . . . . 10.0 112.227 -169.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -56.45 -24.41 45.38 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.689 0.626 . . . . 10.0 112.689 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.9 68.85 1.04 Allowed Glycine 0 CA--C 1.531 1.082 0 N-CA-C 110.475 -1.05 . . . . 10.0 110.475 171.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.235 1.414 . . . . 10.0 109.993 178.726 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.8 t80 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 112.234 0.457 . . . . 10.0 112.234 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -38.5 107.71 0.43 Allowed Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 125.695 1.598 . . . . 10.0 111.872 -172.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -81.34 55.77 5.74 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.291 1.994 . . . . 10.0 112.153 -169.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -56.81 -56.93 11.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 122.983 0.513 . . . . 10.0 111.692 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.27 27.57 7.48 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 107.542 -1.281 . . . . 10.0 107.542 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m 75.99 107.33 0.08 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.301 -1.74 . . . . 10.0 106.301 -166.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -47.38 -44.24 24.03 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 112.873 0.694 . . . . 10.0 112.873 -169.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.78 -41.82 7.39 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.997 0.808 . . . . 10.0 112.628 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.11 -37.85 72.35 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 117.849 0.825 . . . . 10.0 111.402 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.69 -45.28 87.29 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.121 -0.696 . . . . 10.0 109.121 174.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.31 -49.5 76.93 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -50.21 -48.36 54.36 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.333 0.653 . . . . 10.0 110.587 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.7 ttt -56.88 -47.1 81.27 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.06 0.391 . . . . 10.0 110.861 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -55.14 -48.48 73.63 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.867 -0.521 . . . . 10.0 110.566 174.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -60.48 -40.21 90.48 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.998 -0.439 . . . . 10.0 111.128 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -60.17 -50.79 72.3 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.262 0.483 . . . . 10.0 109.872 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -53.71 -51.41 63.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.641 0.376 . . . . 10.0 110.209 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -55.45 -49.41 72.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.947 0.499 . . . . 10.0 110.555 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -56.09 -50.0 72.26 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.876 0.87 . . . . 10.0 111.143 178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -63.12 -38.61 91.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 117.724 0.238 . . . . 10.0 111.056 178.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.86 -44.23 98.13 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.58 -0.608 . . . . 10.0 111.58 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 . . . . . 0 C--O 1.252 1.214 0 CA-C-O 116.282 -1.818 . . . . 10.0 111.254 -179.036 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 t80 . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 119.535 -0.269 . . . . 10.0 111.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.0 m -1.31 84.8 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.485 0 C-N-CA 128.694 2.798 . . . . 10.0 113.278 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -69.36 72.71 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.343 2.029 . . . . 10.0 115.255 -169.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -62.05 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 N-CA-C 107.732 -1.21 . . . . 10.0 107.732 171.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -123.21 24.25 8.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.119 1.367 . . . . 10.0 107.485 168.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m 81.35 108.67 0.07 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.69 -1.596 . . . . 10.0 106.69 -167.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -53.4 -35.47 60.42 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 119.314 0.961 . . . . 10.0 112.142 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.3 -41.4 5.06 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.058 0.837 . . . . 10.0 112.901 173.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -61.22 -53.07 61.55 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 117.612 0.706 . . . . 10.0 109.616 178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -36.61 80.79 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 10.0 109.989 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -66.03 -48.39 71.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.474 -0.766 . . . . 10.0 110.137 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -56.82 -49.05 76.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.38 0.672 . . . . 10.0 109.522 174.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.1 ttm -55.19 -49.7 71.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 122.512 0.325 . . . . 10.0 110.571 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -56.72 -47.95 78.81 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 118.015 0.37 . . . . 10.0 111.14 175.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -54.34 -51.91 63.23 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.174 0.443 . . . . 10.0 110.803 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -62.43 -46.17 89.77 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 122.18 -0.325 . . . . 10.0 110.526 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -54.36 -48.89 70.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.326 0.65 . . . . 10.0 109.799 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -70.37 -39.65 74.46 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 118.197 0.453 . . . . 10.0 111.793 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -54.61 -46.64 73.86 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 122.854 0.462 . . . . 10.0 110.695 177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -72.3 -59.73 2.59 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.537 0.684 . . . . 10.0 110.059 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.01 69.56 2.16 Favored Glycine 0 CA--C 1.525 0.686 0 C-N-CA 125.431 1.491 . . . . 10.0 111.607 -173.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.316 -1.326 . . . . 10.0 109.934 170.787 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 20.9 p90 . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 112.834 0.679 . . . . 10.0 112.834 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 t 38.11 76.67 0.45 Allowed Pre-proline 0 CA--C 1.542 0.656 0 C-N-CA 126.502 1.921 . . . . 10.0 112.06 169.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.68 59.71 6.9 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 123.296 2.664 . . . . 10.0 113.105 -168.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -52.42 8.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 C-N-CA 124.799 1.24 . . . . 10.0 113.627 -173.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -115.97 24.37 11.52 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.274 1.03 . . . . 10.0 108.35 174.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m 78.93 111.07 0.07 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 106.681 -1.6 . . . . 10.0 106.681 -166.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -49.37 -42.31 41.74 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.665 0.745 . . . . 10.0 111.191 -179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.44 -37.7 12.75 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 126.029 1.776 . . . . 10.0 113.652 173.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.44 -51.95 67.3 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 117.993 0.896 . . . . 10.0 108.85 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.6 mt -62.15 -33.97 75.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 110.549 -0.167 . . . . 10.0 110.549 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.24 -47.54 81.99 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.042 -0.663 . . . . 10.0 109.257 175.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -58.06 -44.91 87.76 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 121.834 -0.542 . . . . 10.0 111.113 176.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 93.9 mmm -54.18 -45.2 72.05 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.263 0.483 . . . . 10.0 110.148 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.53 -40.94 88.84 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.317 0.508 . . . . 10.0 111.524 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -55.0 -48.95 72.65 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.69 0.677 . . . . 10.0 110.206 172.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -58.58 -47.23 84.96 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 117.916 0.325 . . . . 10.0 111.147 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.47 -51.57 62.31 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.235 0.614 . . . . 10.0 109.983 177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 ttm105 -60.81 -44.28 97.09 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 110.542 -0.17 . . . . 10.0 110.542 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -42.63 85.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.838 0.455 . . . . 10.0 110.399 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -66.92 -48.4 68.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.428 0.691 . . . . 10.0 110.181 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.55 50.71 1.81 Allowed Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.343 0.973 . . . . 10.0 111.13 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.815 -1.564 . . . . 10.0 111.846 -177.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 90.3 t80 . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 110.608 -0.145 . . . . 10.0 110.608 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 m -135.93 146.2 55.82 Favored Pre-proline 0 N--CA 1.454 -0.265 0 N-CA-C 106.565 -1.643 . . . . 10.0 106.565 170.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -79.58 51.52 3.91 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.737 2.291 . . . . 10.0 111.824 -173.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.09 -52.72 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 124.715 1.206 . . . . 10.0 112.968 -176.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -125.84 32.45 5.27 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 107.315 -1.365 . . . . 10.0 107.315 170.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.6 m 45.8 26.7 0.39 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.143 1.777 . . . . 10.0 112.831 -173.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.5 t80 62.99 -59.58 0.14 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.872 2.469 . . . . 10.0 111.654 -169.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.72 -46.48 18.55 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 126.131 1.824 . . . . 10.0 112.854 -178.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.94 -26.69 60.64 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.407 1.103 . . . . 10.0 110.775 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.46 -49.34 75.8 Favored 'General case' 0 CA--C 1.528 0.132 0 N-CA-C 107.746 -1.205 . . . . 10.0 107.746 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.41 -48.03 77.79 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -54.79 -52.79 61.52 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.895 -0.503 . . . . 10.0 110.756 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -55.26 -49.67 71.45 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 122.679 0.392 . . . . 10.0 110.085 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -54.06 -49.49 68.89 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.028 0.931 . . . . 10.0 110.294 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -59.69 -47.51 85.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.533 0.733 . . . . 10.0 110.323 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -57.83 -46.3 84.91 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 110.227 -0.286 . . . . 10.0 110.227 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -58.17 -46.08 86.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.118 0.567 . . . . 10.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -54.32 48.02 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.362 0.528 . . . . 10.0 109.652 172.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -53.45 -43.8 68.36 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.008 0.923 . . . . 10.0 112.099 -174.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -78.85 -45.59 20.43 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.803 0.274 . . . . 10.0 110.995 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.83 -45.7 93.23 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.45 1.024 . . . . 10.0 112.422 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--O 1.252 1.203 0 CA-C-O 116.799 -1.572 . . . . 10.0 110.815 177.871 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 p90 . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 120.631 0.253 . . . . 10.0 110.972 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 80.7 t -83.76 131.73 51.06 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 106.529 -1.656 . . . . 10.0 106.529 169.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.4 56.39 5.5 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 122.84 2.36 . . . . 10.0 111.03 -178.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -53.52 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 C-N-CA 124.463 1.105 . . . . 10.0 113.394 -169.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -118.84 35.61 4.74 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 106.711 -1.588 . . . . 10.0 106.711 172.238 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m 57.39 65.62 1.32 Allowed 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 -168.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -2.96 -60.15 0.0 OUTLIER 'General case' 0 C--N 1.342 0.244 0 C-N-CA 131.071 3.749 . . . . 10.0 115.942 -178.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.22 -40.62 1.9 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.171 1.367 . . . . 10.0 112.922 177.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -51.3 -38.52 53.35 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 117.774 0.787 . . . . 10.0 112.507 177.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.75 -38.92 92.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 118.918 0.781 . . . . 10.0 110.657 177.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -65.81 -46.24 79.34 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 108.395 -0.965 . . . . 10.0 108.395 176.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -48.74 73.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.311 0.244 . . . . 10.0 110.943 176.467 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.7 ttp -54.1 -53.45 53.01 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.462 0.705 . . . . 10.0 109.557 177.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.28 -45.23 76.18 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.575 -0.25 . . . . 10.0 111.371 178.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -56.85 -50.81 71.32 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.231 0.469 . . . . 10.0 110.555 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -58.98 -49.97 75.87 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 122.035 -0.415 . . . . 10.0 110.627 179.457 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -56.94 -47.07 81.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 122.492 0.317 . . . . 10.0 110.715 178.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -56.88 -50.49 72.33 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.169 0.587 . . . . 10.0 109.703 176.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -57.85 -46.73 84.36 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.625 -0.672 . . . . 10.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.23 -42.69 54.83 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.582 0.586 . . . . 10.0 112.582 -174.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.03 57.4 3.58 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 123.988 0.804 . . . . 10.0 113.109 -169.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 . . . . . 0 C--O 1.253 1.249 0 CA-C-O 116.757 -1.592 . . . . 10.0 108.979 179.237 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 109.808 -0.442 . . . . 10.0 109.808 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.8 t -101.0 131.21 23.6 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 123.367 0.667 . . . . 10.0 109.861 -171.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -78.72 61.41 8.02 Favored 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 122.653 2.236 . . . . 10.0 110.235 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.95 -77.3 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 108.327 -0.99 . . . . 10.0 108.327 171.378 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -115.47 26.66 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 106.122 -1.807 . . . . 10.0 106.122 168.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.4 m 70.49 100.55 0.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.227 1.411 . . . . 10.0 107.388 -166.48 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -48.33 -28.95 3.46 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.969 1.1 . . . . 10.0 113.969 -176.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -43.94 -39.68 5.15 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.205 0.907 . . . . 10.0 112.967 169.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -55.05 -49.83 70.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.964 0.906 . . . . 10.0 110.111 174.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.79 -36.93 76.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.016 -0.516 . . . . 10.0 110.29 -178.388 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -54.08 -50.93 65.68 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 119.261 0.937 . . . . 10.0 109.984 169.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -48.03 79.87 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 121.916 -0.49 . . . . 10.0 110.567 179.239 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.5 tpt -55.29 -49.54 71.83 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.592 0.357 . . . . 10.0 110.324 177.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -54.55 -44.74 73.14 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.798 0.839 . . . . 10.0 110.032 177.026 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -58.88 -52.92 63.67 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.838 0.745 . . . . 10.0 111.247 178.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -62.69 -37.94 88.43 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 119.359 -0.937 . . . . 10.0 111.417 178.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -59.89 -47.59 85.13 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.218 0.463 . . . . 10.0 110.091 177.083 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.87 -51.77 64.9 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.929 0.892 . . . . 10.0 108.7 175.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -59.09 -40.52 85.52 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.212 0.449 . . . . 10.0 112.212 178.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -60.59 -40.72 92.77 Favored 'General case' 0 CA--C 1.534 0.33 0 O-C-N 121.57 -0.707 . . . . 10.0 110.105 174.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.23 58.97 1.91 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.157 0.884 . . . . 10.0 112.112 175.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 . . . . . 0 C--O 1.25 1.131 0 C-N-CA 125.474 1.51 . . . . 10.0 108.87 174.415 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 p90 . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.533 0.206 . . . . 10.0 110.907 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.5 m -132.85 149.69 73.63 Favored Pre-proline 0 N--CA 1.455 -0.206 0 N-CA-C 107.174 -1.417 . . . . 10.0 107.174 171.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.31 50.8 3.47 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.117 2.544 . . . . 10.0 111.422 -175.715 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -45.53 -53.77 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 125.112 1.365 . . . . 10.0 112.795 -173.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -117.79 23.38 11.73 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.631 1.172 . . . . 10.0 108.533 175.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m 93.18 -17.72 0.11 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.543 2.337 . . . . 10.0 110.801 -169.359 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.3 t80 73.74 -49.91 0.69 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 126.805 2.042 . . . . 10.0 113.089 176.145 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.95 -49.75 22.67 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 123.494 0.568 . . . . 10.0 111.721 178.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -40.56 95.27 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.112 -0.64 . . . . 10.0 111.179 179.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.32 -45.75 89.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.016 -0.735 . . . . 10.0 109.016 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -60.19 -38.6 83.79 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.228 -0.295 . . . . 10.0 111.626 174.785 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -65.35 -48.1 74.14 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.314 -0.866 . . . . 10.0 111.335 176.014 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.0 mmt -57.6 -43.77 84.95 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.226 0.466 . . . . 10.0 110.396 176.15 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.69 -48.95 76.53 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.373 1.069 . . . . 10.0 110.463 173.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -57.22 -50.71 72.02 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.596 -0.52 . . . . 10.0 109.596 178.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -57.16 -48.76 77.9 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.138 0.575 . . . . 10.0 110.401 178.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -54.56 -53.21 57.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.603 0.761 . . . . 10.0 109.91 178.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -57.96 -48.26 80.5 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.518 0.327 . . . . 10.0 110.711 178.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -54.8 -52.15 63.54 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.387 0.675 . . . . 10.0 111.305 179.433 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -67.28 -36.54 81.76 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 117.648 0.204 . . . . 10.0 111.208 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.58 -43.06 99.33 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.421 -0.672 . . . . 10.0 111.421 176.149 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 116.764 -1.589 . . . . 10.0 110.82 179.157 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.7 p90 . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.427 0.155 . . . . 10.0 111.049 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.77 124.01 82.02 Favored Pre-proline 0 CA--C 1.535 0.369 0 N-CA-C 106.394 -1.706 . . . . 10.0 106.394 169.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -79.59 52.34 4.25 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.406 2.071 . . . . 10.0 111.202 -174.209 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.526 HD12 ' H ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -48.72 -53.96 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 124.346 1.058 . . . . 10.0 112.869 -169.693 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.526 ' H ' HD12 ' A' ' 4' ' ' ILE . 10.0 m-85 -123.9 36.79 4.55 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.666 -1.605 . . . . 10.0 106.666 169.529 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.2 m 59.74 70.88 0.61 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 108.529 -0.915 . . . . 10.0 108.529 -169.847 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -12.24 -62.09 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 129.47 3.108 . . . . 10.0 115.445 -175.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -42.07 -46.4 5.19 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 124.427 1.013 . . . . 10.0 112.375 -179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -62.61 -44.46 96.24 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.374 0.67 . . . . 10.0 111.187 179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 tp -63.65 -45.28 90.87 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 177.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.75 -42.83 94.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.983 0.513 . . . . 10.0 109.946 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -64.81 -47.28 78.6 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.699 -0.626 . . . . 10.0 110.968 175.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -51.35 -45.76 62.45 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.065 0.546 . . . . 10.0 109.895 174.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -53.75 -47.75 70.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.999 -0.524 . . . . 10.0 110.772 174.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -62.86 -46.51 87.56 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 119.172 0.896 . . . . 10.0 110.878 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -56.19 -44.53 79.51 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.325 0.25 . . . . 10.0 110.627 178.043 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.92 -55.81 30.33 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 176.278 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -37.67 63.33 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.579 0.752 . . . . 10.0 111.774 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.05 -35.2 46.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.608 0.763 . . . . 10.0 111.427 178.072 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -96.17 -53.05 3.77 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.38 0.536 . . . . 10.0 110.594 175.248 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.68 56.56 4.2 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 . . . . . 0 C--O 1.252 1.211 0 CA-C-O 117.243 -1.36 . . . . 10.0 110.543 -176.508 . . . . . . . . 0 0 . 1 stop_ save_